SCHEMBL7108419

SCHEMBL7108419

C#CCCN1CCC(Cc2cccc(C(F)(F)F)c2)C(O)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
CARM1 Q86X55 2/20 0.42
PRMT6 Q96LA8 2/20 0.42
GAA P10253 2/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
MAOA P21397 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TEAD1 P28347 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR5 Q9H228 2/20 0.40
GRK5 P34947 1/20 0.40
CDK8 P49336 1/20 0.40
PDGFRA P16234 1/20 0.39
NR3C1 P04150 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
SCHEMBL7106814 0.83 DRD2 (0.43) SIGMAR1ALDH1A1
SCHEMBL7110354 0.83 GRIN2B (0.42) MAOBCARM1PRMT6MAOASIGMAR1
SCHEMBL7103239 0.82 MAOB (0.62) MAOBCARM1PRMT6GAAMAOA
SCHEMBL7108004 0.76 MAOB (0.42) MAOBCARM1PRMT6GAAALDH1A1
SCHEMBL7109519 0.72 TP53 (0.51) MAOBCARM1PRMT6MAOA
SCHEMBL7108317 0.70 IDH2 (0.50) MAOBCARM1PRMT6UBE2MDCUN1D1
SCHEMBL7103311 0.70 MAOB (0.41) MAOBGAASIGMAR1ALDH1A1
SCHEMBL7107506 0.68 GRIN2B (0.59)
SCHEMBL24008536 0.68 GAA (0.60) MAOBCARM1PRMT6GAASIGMAR1
SCHEMBL2438027 0.68 ALDH1A1 (0.61) GAAUBE2MDCUN1D1SIGMAR1KDM4E

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 10 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
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP claimed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO 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 MAOB 2511/4885CARM1 162/4885PRMT6 1251/4885

“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.