SCHEMBL7108429

SCHEMBL7108429

C#CCCCN1CCC(Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
HRH3 Q9Y5N1 3/20 0.41
SIGMAR1 Q99720 2/20 0.40
CCR2 P41597 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
CACNA1G O43497 2/20 0.40
PABPC1 P11940 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL7107536 0.92 POLB (0.59) POLBROCK2ROCK1CARM1PRMT6
SCHEMBL7110318 0.83 POLB (0.58) POLBROCK2ROCK1CARM1PRMT6
SCHEMBL7108431 0.80 KDM4E (0.44) ROCK2ROCK1CARM1PRMT6CCR2
SCHEMBL7110809 0.77 CARM1 (0.62) ROCK2ROCK1CARM1PRMT6CCR2
SCHEMBL7108846 0.77 SLC6A2 (0.56) SIGMAR1MAOB
SCHEMBL7108255 0.76 HRH3 (0.50) CARM1PRMT6HRH3SIGMAR1
SCHEMBL2798023 0.75 SIGMAR1 (0.63) POLBHRH3SIGMAR1
SCHEMBL7104325 0.75 POLB (0.43) POLBROCK2ROCK1CARM1PRMT6
SCHEMBL2794926 0.74 HTR1A (0.69) HRH3SIGMAR1
SCHEMBL6125214 0.73 POLB (1.00) POLBROCK2ROCK1FPR2PROKR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105133-A1 4-Substituted piperidine analogs and their use as subtype selective NMDA receptor, antagonists BIGGE CHRISTOPHER F (US) 2003-06-05 US 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
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
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP disclosed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 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 (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 POLB 546/4885ROCK2 3811/4885ROCK1 3171/4885

“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.