SCHEMBL2004615

SCHEMBL2004615

c1ccc(CC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 1.00
ALDH1A1 P00352 3/20 0.84
ATM Q13315 4/20 0.77
GAA P10253 2/20 0.77
KDM4E B2RXH2 1/20 0.77
GLA P06280 1/20 0.77
MAPT P10636 1/20 0.77
HTT P42858 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
PRMT3 O60678 1/20 0.67
CARM1 Q86X55 1/20 0.67
PRMT6 Q96LA8 1/20 0.67
PRMT1 Q99873 1/20 0.67
PRMT8 Q9NR22 1/20 0.67
ACHE P22303 1/20 0.65
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SIGMAR1 Q99720 2/20 0.63

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
SCHEMBL7977320 0.98 CCR3 (0.96) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL8191786 0.98 CCR3 (0.96) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL12642472 0.90 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL3148583 0.90 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL8251054 0.90 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL3246849 0.90 CCR3 (0.81) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL23719076 0.89 CCR3 (0.80) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL6218861 0.89 CCR3 (0.80) CCR3ALDH1A1ATMGAAKDM4E
SCHEMBL8262506 0.89 CCR3 (0.80) CCR3ALDH1A1ATMGAAKDM4E
Hydrochloric Acid SCHEMBL7983430 0.89 CCR3 (0.79) CCR3ALDH1A1ATMGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP claimed
US-5912350-A Certain aminomethyl biphenyl, aminomethyl phenyl pyridine and aminomethyl phenyl pyrimidine derivatives; novel dopamine receptor subtype selective ligands NEUROGEN CORPORATION (US) 1999-06-15 US claimed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed
US-20170226072-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds UNIV KENTUCKY RES FOUND (US) 2017-08-10 US disclosed
US-20160031840-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-02-04 US disclosed
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7960305-B2 a mixture of a phosphazenium compound such as tetrakis[tris(dimethylamino)phosphoranylideneamino]phosphonium chloride, transition metal halides and an organic halogen compound as an activator, used for addition homo/copolymerization; living polymers MITSUI CHEMICALS, INC. (JP) 2011-06-14 US disclosed
CN-101128491-B Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC 2010-09-08 CN disclosed
US-20080177014-A1 Polymerization Catalyst Composition and Process for Production of Polymer MITSUI CHEMICALS, INC. (JP) 2008-07-24 US disclosed
CN-101128491-A Polymerization catalyst composition and method for producing polymer MITSUI CHEMICALS INC (JP) 2008-02-20 CN disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed
CN-1177957-A Indole derivatives for the treatment of osteoporosis SMITHKLINE BEECHAM SPA (IT) 1998-04-01 CN disclosed
US-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed
WO-1998001436-A1 HETEROAROMATIC PENTADIENOIC ACID DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION SMITHKLINE BEECHAM S.P.A. (IT) 1998-01-15 WO disclosed
WO-1998001443-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF OSTEOPOROSIS SMITHKLINE BEECHAM S.P.A. (IT) 1998-01-15 WO disclosed
US-5677454-A DIAGNOSIS, THERAPY OF SCHIZOPHRENIA, DEPRESSION, PARKINSONISM NEUROGEN CORPORATION (US) 1997-10-14 US disclosed
CN-1159797-A Aryloxy and arylthiopropanolamine derivative suseful as beta 3-adrenoreceptor agonists and antagonists of the beta 1 and beta 2-adrenoreceptors and pharmaceutical composition thereof SMITHKLINE BEECHAM PLC (GB) 1997-09-17 CN disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
WO-1996004234-A1 ARYLOXY ANDARYCTHIO PROPANOLAMINE DERIVATIVES USEFUL AS B3-ADRENORECEPTOR AGONISTS AND ANTAGONS OF THE B1 AND B2 ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1996-02-15 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 (2 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-20160031840-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds GRM1, BRD4, DRD1 CCR3 1466/4885ALDH1A1 378/4885ATM 4718/4885
US-20170226072-A1 1,4-Disubstituted Piperidines, 1,4-Disubstituted Piperazines, 1,4-Disubstituted Diazepines, and 1,3-Disubstituted Pyrrolidine Compounds GRM1, BRD4, DRD1 CCR3 1466/4885ALDH1A1 378/4885ATM 4718/4885

“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.