SCHEMBL7108318

SCHEMBL7108318

C#CCCN1CCC(Nc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.50
PKM P14618 1/20 0.46
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CARM1 Q86X55 2/20 0.42
PRMT6 Q96LA8 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
CCR3 P51677 1/20 0.41
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TEAD2 Q15562 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
SCHEMBL7107539 0.83 GAA (0.46) PKMKMT2AKDM4EGAACARM1
SCHEMBL1815878 0.79 SCD (0.57) SCDPKMLMNAKMT2AKDM4E
SCHEMBL7110809 0.78 CARM1 (0.62) KDM4EGAACARM1PRMT6
SCHEMBL2724849 0.77 SCD (0.56) SCDPKMKMT2AKDM4EGAA
SCHEMBL7108317 0.77 IDH2 (0.50) KMT2AKDM4ECARM1PRMT6
SCHEMBL7108431 0.75 KDM4E (0.44) PKMKMT2AKDM4EGAACARM1
SCHEMBL5184222 0.72 SCD (0.53) SCDPKMLMNAKMT2AKDM4E
SCHEMBL2636808 0.71 SCD (0.57) SCDPKMLMNAKMT2AKDM4E
SCHEMBL7107536 0.70 POLB (0.59) GAACARM1PRMT6POLB
SCHEMBL2090803 0.70 SCD (0.53) SCDKMT2AKDM4EGAASIGMAR1

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
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

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 SCD 3144/4885PKM 72/4885LMNA 3113/4885

“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.