SCHEMBL463378

SCHEMBL463378

CC(C)[C@@H]1CCCN(C)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 1/20 0.32
KAT2B Q92831 3/20 0.31
BPTF Q12830 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL462404 1.00 CACNA2D1 (0.35) CACNA2D1CACNA1BCACNB1CACNA1CATM
SCHEMBL15837593 1.00 CACNA2D1 (0.35) CACNA2D1CACNA1BCACNB1CACNA1CATM
SCHEMBL17173932 0.93 KAT2B (0.35) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL17173930 0.93 KAT2B (0.35) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL13890375 0.93 KAT2B (0.35) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL19844823 0.91 KAT2B (0.35) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL19844822 0.91 KAT2B (0.35) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL13006548 0.85
SCHEMBL13006560 0.85
SCHEMBL1109595 0.85 KDM4E (0.36) HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-09-14 US disclosed
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof 280 Bio, Inc (US) 2023-08-03 US disclosed
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 WO disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2023-02-16 US disclosed
US-20230000851-A1 ERAP1 MODULATORS Grey Wolf Therapeutics Limited (GB) 2023-01-05 US disclosed
US-20110039868-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-02-17 US disclosed
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-12-30 US disclosed
US-7825118-B2 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2010-11-02 US disclosed
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC 2010-10-07 US disclosed
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2010-02-18 US disclosed
US-20100029678-A1 DIURETICS MERCK SHARP & DOHME CORP. 2010-02-04 US disclosed
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS, INC. (US) 2009-07-16 US disclosed
US-7514444-B2 Inhibitors of bruton's tyrosine kinase PHARMACYCLICS, INC. (US) 2009-04-07 US disclosed
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told PHARMACYCLICS, INC. (US) 2008-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029678-A1 DIURETICS NR3C2, REN, NR3C1 CACNA2D1 1095/4885CACNA1B 452/4885CACNB1 1035/4885
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CCNI, CYP2C19, PHB1 CACNA2D1 2442/4885CACNA1B 2927/4885CACNB1 2712/4885
US-20100041677-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN CACNA2D1 4482/4885CACNA1B 4298/4885CACNB1 3899/4885
US-20230285573-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, CBL, UBQLN2 CACNA2D1 3569/4885CACNA1B 2327/4885CACNB1 1431/4885
US-20230000851-A1 ERAP1 MODULATORS ERAP1, NR1I3, HRH4 CACNA2D1 3421/4885CACNA1B 3435/4885CACNB1 2986/4885
US-20230050819-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE CYFIP2, TPX2, ATXN2 CACNA2D1 2477/4885CACNA1B 718/4885CACNB1 680/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CACNA2D1 4337/4885CACNA1B 4846/4885CACNB1 4630/4885
US-20090181987-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LCK, LYN CACNA2D1 4442/4885CACNA1B 4391/4885CACNB1 4011/4885
US-20100331350-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN CACNA2D1 4482/4885CACNA1B 4298/4885CACNB1 3899/4885
US-20230242552-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method Therefor and Use Thereof NRAS, KRAS, RAB8A CACNA2D1 3063/4885CACNA1B 1332/4885CACNB1 3185/4885
US-20110039868-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN CACNA2D1 4482/4885CACNA1B 4298/4885CACNB1 3899/4885
US-20100254905-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 CACNA2D1 3361/4885CACNA1B 4026/4885CACNB1 3291/4885
US-11713322-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 CACNA2D1 3989/4885CACNA1B 4802/4885CACNB1 4299/4885
US-20080108636-A1 compounds that form covalent bonds with Bruton's tyrosine kinase (Btk). Also described are irreversible inhibitors of Btk. Methods for the preparation of the compounds are disclosed. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the Btk inhibitors are told BTK, LCK, LYN CACNA2D1 4643/4885CACNA1B 4436/4885CACNB1 4011/4885
US-20080139582-A1 4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidine derivatives; can be covalently bonded to Bruton's tyrosine kinase; autoimmune diseases, lymphoma, leukemia; antiproliferative, anticarcinogenic and antiinflammatory agents BTK, LCK, LYN CACNA2D1 3861/4885CACNA1B 4158/4885CACNB1 3809/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 CACNA2D1 3950/4885CACNA1B 4408/4885CACNB1 4218/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.