SCHEMBL7110318

SCHEMBL7110318

C#CCN1CCC(Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
MAOB P27338 7/20 0.56
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
CCR2 P41597 1/20 0.43
BCHE P06276 2/20 0.42
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
MAOA P21397 3/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
MCHR1 Q99705 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40

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 0.85 POLB (0.59) POLBMAOBROCK2ROCK1CCR2
SCHEMBL7108429 0.83 POLB (0.56) POLBMAOBROCK2ROCK1CCR2
SCHEMBL7110319 0.78 KDM4E (0.48) MAOBROCK2ROCK1CCR2BCHE
SCHEMBL924357 0.76 ACHE (0.68) POLBROCK2ROCK1CCR2BCHE
SCHEMBL11457742 0.76 POLB (0.58) POLBROCK2ROCK1CCR2BCHE
SCHEMBL5643096 0.74 ROCK2 (0.67) ROCK2ROCK1CCR2
SCHEMBL11808670 0.74 POLB (0.68) POLBROCK2ROCK1RHOCRHOA
SCHEMBL668906 0.74 POLB (0.68) POLBROCK2ROCK1RHOCRHOA
SCHEMBL14522039 0.74 MCHR1 (0.46) MAOBMAOAMCHR1LMNAMAPT
SCHEMBL7105019 0.74 MAOB (0.74) MAOBMAOAALDH1A1

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 4 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

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 546/4885MAOB 2511/4885ROCK2 3811/4885

“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.