SCHEMBL178416

SCHEMBL178416

COC1CCN(C(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.44

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
SCHEMBL24742927 0.91 HRH3 (0.41) HRH3
SCHEMBL21871369 0.88 HRH3 (0.40) HRH3
SCHEMBL9963118 0.86 HRH3 (0.38) HRH3
SCHEMBL8121510 0.86 HRH3 (0.38) HRH3
SCHEMBL9963119 0.86 HRH3 (0.38) HRH3
SCHEMBL21673538 0.83 HRH3 (0.37) HRH3
SCHEMBL26501052 0.82 HRH3 (0.44) HRH3
SCHEMBL19102360 0.82 HRH3 (0.36) HRH3
SCHEMBL25670353 0.81 HRH3 (0.41) HRH3
SCHEMBL21016656 0.81 HRH3 (0.34) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101573361-B Aminopyrimidine derivatives as PLK1 inhibitors MSD KK 2012-05-30 CN claimed
CN-101573361-A Novel aminopyrimidine derivative as plk1 inhibitor BANYU PHARMA CO LTD (JP) 2009-11-04 CN claimed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
EP-4393919-A1 LSD1 MODULATORS Exscientia Al Limited (GB) 2024-07-03 EP disclosed
WO-2024020419-A1 AZA-QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2024020380-A1 QUINAZOLINE COMPOUNDS AND METHODS OF USE IAMBIC THERAPEUTICS, INC. (US) 2024-01-25 WO disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
WO-2008116185-A2 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-09-25 WO disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2007-03-29 US disclosed
CN-1283626-C Substituted benzene derivative or salt thereof YAMANOUCHI PHARMA CO LTD (JP) 2006-11-08 CN disclosed
CN-1742013-A Pyrazolopyrimidine compound and method for producing the same TANABE SEIYAKU CO (JP) 2006-03-01 CN disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 WO disclosed
CN-1656086-A Benzofuran derivative TANABE SEIYAKU CO (JP) 2005-08-17 CN disclosed
CN-1476433-A Substituted benzene derivative or salt thereof ֮����ҩ��ʽ���� 2004-02-18 CN 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-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 HRH3 335/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL HRH3 4356/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 HRH3 3415/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 HRH3 387/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 HRH3 246/4885
US-20070072934-A1 Alkoxy indolinone based protein kinase inhibitors PHKG1, MAP3K19, MAP3K20 HRH3 2981/4885

“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.