SCHEMBL6961436

SCHEMBL6961436

ClN1CC[N]C(c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
ALPL P05186 2/20 0.39
KCNH2 Q12809 2/20 0.39
ALPI P09923 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD1 P21728 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
PMP22 Q01453 1/20 0.38
BLM P54132 1/20 0.38
RECQL P46063 1/20 0.34
CHRNA7 P36544 1/20 0.34
NPC1 O15118 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL10677142 0.79 CYP1A2 (0.40) CYP1A2CYP2D6ALPLKCNH2ALPI
SCHEMBL2203029 0.78 SLC6A2 (0.41) CYP1A2CYP2D6ALPLKCNH2ALPI
SCHEMBL10676051 0.78 CYP1A2 (0.39) CYP1A2CYP2D6ALPLKCNH2ALPI
SCHEMBL2094438 0.76 MAPK1 (0.45) CYP1A2CYP2D6ALPLKCNH2ALPI
SCHEMBL8646745 0.76 SIGMAR1 (0.48) CYP1A2CYP2D6ALDH1A1CYP2C19CYP3A4
SCHEMBL10874338 0.74 ALPL (0.36) CYP1A2CYP2D6ALPLKCNH2ALPI
SCHEMBL8907082 0.74 MEN1 (0.37) CYP1A2CYP2D6ALPLKCNH2ALPI
SCHEMBL8648546 0.71 POLB (0.46) TSHRMAPK1ALDH1A1LMNAKMT2A
SCHEMBL16367727 0.67 SLC18A3 (0.47) DRD1NFKB1ALDH1A1LMNANPC1
SCHEMBL1749974 0.66 NOS1 (0.44) CYP1A2CYP2D6KCNH2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4735959-A HYPOGLYCEMIC AGENTS DR. KARL THOMAE GMBH (DE) 1988-04-05 US claimed
EP-0058779-B1 CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1984-09-19 EP claimed
EP-0058779-A2 Carboxamides, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1982-09-01 EP claimed
US-20030105133-A1 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists BIGGE CHRISTOPHER F (US) 2003-06-05 US disclosed
EP-0869791-B1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2003-05-07 EP disclosed
US-6448270-B1 BICYCLIC HETEROARYL ACETYLENES; NEUROPROTECTIVE AGENTS; STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMINOGLYCOSIDE ANTIBIOTIC INDUCED HEARING LOSS, MIGRAINES, CHRONIC PAIN, GLAUCOMA WARNER-LAMBERT COMPANY 2002-09-10 US disclosed
US-6130234-A 4-substituted piperidine analogs and their use as subtype selective NMDA receptor antagonists WARNER-LAMBERT COMPANY (US) 2000-10-10 US disclosed
US-5620988-A Substituted tetrahydropyridines and hydroxypiperidines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1997-04-15 US disclosed
EP-0556332-B1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-03-20 EP disclosed
EP-0556329-B1 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER LAMBERT CO (US) 1996-01-10 EP disclosed
US-5466698-A Substituted tetrahydrophyridines and hydroxypiperidines as central nervous system agents WARNER-LAMBERT COMPANY (US) 1995-11-14 US disclosed
WO-1992007831-A1 SUBSTITUTED TETRAHYDROPYRIDINES AND HYDROXYPIPERIDINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed
WO-1992007832-A2 SUBSTITUTED PIPERAZINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-05-14 WO disclosed
US-4735959-A HYPOGLYCEMIC AGENTS DR. KARL THOMAE GMBH (DE) 1988-04-05 US disclosed
EP-0063826-B1 2-AMINO-BENZOIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES OR INTERMEDIATES Dr. Karl Thomae GmbH (DE) 1984-12-05 EP disclosed
EP-0058779-B1 CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1984-09-19 EP disclosed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP disclosed
EP-0063826-A2 2-Amino-benzoic-acid derivatives, their preparation and their use as medicines or intermediates Dr. Karl Thomae GmbH (DE) 1982-11-03 EP disclosed
EP-0058779-A2 Carboxamides, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1982-09-01 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 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 (1 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-20030105133-A1 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists GRIN3B, OPRM1, GRIN3A CYP1A2 4122/4885CYP2D6 2319/4885ALPL 1729/4885

“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.