SCHEMBL653659

SCHEMBL653659

CCOC(=O)C1(OC2C=CC=C3Oc4ncccc4C(=CCCN4CCC(O)(c5ccc(Cl)cc5)CC4)C=C32)CCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.34
DRD2 P14416 2/20 0.32
OPRM1 P35372 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD4 P21917 1/20 0.32
HRH2 P25021 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL660568 0.92 OPRM1 (0.34) CCR1DRD2OPRM1ADRA2AADRA2B
SCHEMBL653882 0.88 CCR1 (0.35) CCR1DRD2OPRM1OPRL1
SCHEMBL655810 0.88 DRD2 (0.34) CCR1DRD2OPRM1SLC6A4HRH1
SCHEMBL654374 0.88 CCR1 (0.35) CCR1DRD2
SCHEMBL652741 0.87 CCR1 (0.39) CCR1DRD2OPRM1OPRL1
SCHEMBL655073 0.87 CCR1 (0.37) CCR1DRD2OPRM1ADRA2AADRA2B
SCHEMBL653230 0.86 CCR1 (0.36) CCR1DRD2OPRM1SLC6A4HRH1
SCHEMBL652813 0.86 ALDH1A1 (0.38) CCR1DRD2ADRA1A
SCHEMBL653796 0.85 CCR1 (0.35) CCR1DRD2ADRA1A
SCHEMBL658012 0.85 CCR1 (0.34) CCR1DRD2OPRM1ADRA1AOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937060-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals, Inc. (US) 2015-01-20 US claimed
US-20110152284-A1 Sigma ligands for neuronal regeneration and functional recovery WIELOCH TADEUSZ 2011-06-23 US claimed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US claimed
US-20060241168-A1 Antidepressant OHKAWA SHIGENORI 2006-10-26 US claimed
US-7008950-B1 Benzofurans as suppressors of neurodegeneration TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-07 US claimed
US-20050171135-A1 1'-[4-[1-(4-fluorophenyl)-1H-indole-3-Y1]-spiro[isobenzofuran-1(3H), 4'-piperidine]hydrohalogenides H. LUNDBECK A/S (DK) 2005-08-04 US claimed
US-6448247-B1 TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) SANKYO COMPANY, LIMITED (JP) 2002-09-10 US claimed
US-6436938-B1 ADMINISTERING A SIGMA RECEPTOR LIGAND IN COMBINATION WITH AN ANTIDEPRESSANT AGENT; ESPECIALLY FOR REFRACTORY DEPRESSION PFIZER INC. 2002-08-20 US claimed
US-20020099045-A1 Combination treatment for depression PFIZER PRODUCTS INC. 2002-07-25 US claimed
EP-1224930-A1 Combination of a SR inhibitor and sigma receptor ligand in the treatment ofdepression Pfizer Products Inc. (US) 2002-07-24 EP claimed
US-20020004601-A1 Spiro[cyclopent[b]indole-piperidines] HOECHST MARION ROUSSEL, INC. 2002-01-10 US claimed
EP-0892802-A1 SPIRO(CYCLOPENT(B)INDOLE-PIPERIDINES) AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-01-27 EP claimed
CN-1175256-A tetracyclic spiro compounds, process for their preparation and their use as 5HT1D receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN claimed
WO-1997037992-A2 SPIRO[CYCLOPENT[B]INDOLE-PIPERIDINES] AND N-PHENYL-HYDRAZON INTERMEDIATES FOR THEIR PREPARATION, BOTH BEING ACETYLCHOLINESTERASE AND MAO INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-10-16 WO claimed
CN-1157286-A N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide SANKYO CO (JP) 1997-08-20 CN claimed
WO-2024140679-A1 SPIROCYCLIC HPK1 ANTAGONISTS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-07-04 WO disclosed
EP-4288436-A1 TRICYCLIC COMPOUNDS AND USES THEREOF HUTCHMED Limited (CN) 2023-12-13 EP disclosed
US-4552881-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1985-11-12 US disclosed
EP-0104632-A2 1'-(3-(1,2-Benzisoxazol-3-yl)propyl)spiro-(benzofuran-2-(3H),3' or 4'-piperidine or 3'-pyrrolidines), a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-04-04 EP disclosed
EP-0104632-A2 1'-(3-(1,2-Benzisoxazol-3-yl)propyl)spiro-(benzofuran-2-(3H),3' or 4'-piperidine or 3'-pyrrolidines), a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-04-04 EP 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-20110152284-A1 Sigma ligands for neuronal regeneration and functional recovery SIGMAR1, TMEM97, LPAR6 CCR1 899/4885DRD2 729/4885OPRM1 38/4885
US-20060241168-A1 Antidepressant AKT1S1, AKT1, AKT2 CCR1 3034/4885DRD2 224/4885OPRM1 146/4885
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO CCR1 807/4885DRD2 2003/4885OPRM1 1201/4885
US-20020099045-A1 Combination treatment for depression HTR5A, HTR1A, OPRL1 CCR1 1684/4885DRD2 151/4885OPRM1 22/4885
US-20050171135-A1 1'-[4-[1-(4-fluorophenyl)-1H-indole-3-Y1]-spiro[isobenzofuran-1(3H), 4'-piperidine]hydrohalogenides TPH1, HTR1D, TPH2 CCR1 3291/4885DRD2 50/4885OPRM1 257/4885
US-20020004601-A1 Spiro[cyclopent[b]indole-piperidines] CAMK2B, GRIN2B, HTR2B CCR1 1603/4885DRD2 32/4885OPRM1 1127/4885

“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.