SCHEMBL484695

SCHEMBL484695

N[C@@H]1CCc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ACHE P22303 8/20 0.44
KDM1A O60341 5/20 0.43
IDO1 P14902 1/20 0.40
KDM1B Q8NB78 1/20 0.38

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
SCHEMBL4014236 1.00 HTR2A (0.46) HTR2AHTR2CHTR2BACHEKDM1A
Hydrochloric Acid SCHEMBL16535589 0.98 ACHE (0.47) HTR2AHTR2CHTR2BACHEKDM1A
Methylamine SCHEMBL27747617 0.96 HTR2A (0.47) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL3203100 0.89 ACHE (0.48) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL3178048 0.89 ACHE (0.48) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL15188938 0.89 ACHE (0.48) HTR2AHTR2CHTR2BACHEKDM1A
Hydrochloric Acid SCHEMBL3175686 0.87 ACHE (0.47) HTR2AHTR2CHTR2BACHEKDM1A
SCHEMBL784874 0.84 KDM1A (0.47) HTR2AHTR2CKDM1AKDM1B
SCHEMBL584522 0.84 KDM1A (0.47) HTR2AHTR2CKDM1AKDM1B
SCHEMBL3215208 0.84 KDM1A (0.47) HTR2AHTR2CKDM1AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4685149-A1 NOVEL COMPOUND AS ENDOTHELIAL TO MESENCHYMAL TRANSITION (ENDMT) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Institute of Radiological & Medical Sciences (KR) 2026-01-28 EP disclosed
WO-2024196236-A1 NOVEL COMPOUND AS ENDOTHELIAL TO MESENCHYMAL TRANSITION (ENDMT) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-09-26 WO disclosed
EP-2844643-B1 PYRIMIDINEDIONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-30 EP disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
US-9199946-B2 Pyrimidinone carboxamide inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-01 US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-05 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (3 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-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTR2A 1059/4885HTR2C 1903/4885HTR2B 1426/4885
US-20150065505-A1 PYRIMIDINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LPL, PNLIP HTR2A 2176/4885HTR2C 2565/4885HTR2B 1836/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HTR2A 475/4885HTR2C 549/4885HTR2B 88/4885

“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.