SCHEMBL1440499

SCHEMBL1440499

COC(=O)C1CNCCC1C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL13390386 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL29017255 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL8225436 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL29017210 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL8220061 1.00 CHRM2 (0.42) CHRM2CHRM4CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3302448 0.98 CHRM2 (0.41) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL12699742 0.85 CHRNB2 (0.40) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL28560927 0.85 CHRNB2 (0.40) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL18308390 0.85 CHRNB2 (0.40) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL3976273 0.85 CHRNB2 (0.40) CHRM2CHRM4CHRM3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use MERCK SHARP & DOHME LLC (US) 2024-08-13 US disclosed
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
US-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2024-07-25 US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
CN-112300172-B Bruton tyrosine kinase inhibitors 比奥根MA公司 2024-01-16 CN disclosed
CN-116075514-A Pharmacologically active heterocyclic substituted pyrazolo [1,5-a ] pyrimidine derivatives 吉瑞工厂 2023-05-05 CN disclosed
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 US disclosed
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN MA INC. 2023-02-16 US disclosed
WO-2022237649-A1 EXOCYCLIC AMINO QUINAZOLINE DERIVATIVES AS KRAS INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2022-11-17 WO disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed
WO-2011029046-A1 BRUTON'S TYROSINE KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2011-03-10 WO disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
WO-2009152133-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-12-17 WO disclosed
EP-2069300-A2 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2009-06-17 EP disclosed
WO-2008024371-A2 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PREXA PHARMACEUTICALS, INC. (US) 2008-02-28 WO 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 (6 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-20240246988-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CHRM2 4863/4885CHRM4 4830/4885CHRM3 4734/4885
US-20230046457-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CHRM2 4863/4885CHRM4 4830/4885CHRM3 4734/4885
US-12060357-B2 9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use ADORA2A, ADORA2B, ADORA3 CHRM2 179/4885CHRM4 823/4885CHRM3 425/4885
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 CHRM2 3303/4885CHRM4 3418/4885CHRM3 3526/4885
US-20100093706-A1 MULTIMEDIATOR TRANSPORTER INHIBITORS FOR USE IN TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SLC6A4, SLC18A2, SLC6A2 CHRM2 2401/4885CHRM4 1229/4885CHRM3 1784/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK CHRM2 4863/4885CHRM4 4830/4885CHRM3 4734/4885

“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.