SCHEMBL462404

SCHEMBL462404

CC(C)C1CCCN(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
SCHEMBL463378 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 346 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE YUMANITY THERAPEUTICS, INC. 2024-06-27 US disclosed
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed
WO-2023239892-A1 COMPOUNDS FOR MODULATION OF CD68 AND USES THEREOF ARKUDA THERAPEUTICS (US) 2023-12-14 WO disclosed
WO-2023235880-A1 CD38 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. (US) 2023-12-07 WO disclosed
US-20230381172-A1 COMBINATIONS OF BCL-2 INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS ZENO MANAGEMENT, INC. 2023-11-30 US disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070191333-A1 Antibacterial agents WARNER LAMBERT COMPANY LLC 2007-08-16 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-4041052-A DYES POLYESTER FIBERS ORANGE OR RED-VIOLET CIBA-GEIGY CORPORATION (US) 1977-08-09 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 (10 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-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 CACNA2D1 4733/4885CACNA1B 3825/4885CACNB1 3184/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT CACNA2D1 4843/4885CACNA1B 4871/4885CACNB1 4814/4885
US-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH CACNA2D1 2529/4885CACNA1B 1088/4885CACNB1 1642/4885
US-20070191333-A1 Antibacterial agents MRPL21, RPN2, FBL CACNA2D1 4140/4885CACNA1B 4200/4885CACNB1 3837/4885
US-20240208964-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE PNPO, DPYD, PYGB CACNA2D1 1266/4885CACNA1B 600/4885CACNB1 819/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CACNA2D1 4337/4885CACNA1B 4846/4885CACNB1 4630/4885
US-20230381172-A1 COMBINATIONS OF BCL-2 INHIBITORS WITH CHEMOTHERAPEUTIC AGENTS BCL2, BAD, BAK1 CACNA2D1 1004/4885CACNA1B 934/4885CACNB1 2483/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 CACNA2D1 4737/4885CACNA1B 3067/4885CACNB1 3532/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 CACNA2D1 4349/4885CACNA1B 3335/4885CACNB1 3954/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 CACNA2D1 4697/4885CACNA1B 4762/4885CACNB1 4724/4885

“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.