SCHEMBL7104650

SCHEMBL7104650

C#CCCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.65
OPRM1 P35372 8/20 0.65
OPRD1 P41143 3/20 0.65
OPRK1 P41145 3/20 0.60
ABCB11 O95342 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58
EBP Q15125 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
KDM4E B2RXH2 1/20 0.57
PMP22 Q01453 1/20 0.57
DRD4 P21917 2/20 0.53
DRD2 P14416 1/20 0.53

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
SCHEMBL16363588 0.88 OPRL1 (0.66) OPRL1OPRM1OPRD1OPRK1ABCB11
SCHEMBL18029400 0.81 OPRL1 (0.70) OPRL1OPRM1OPRD1OPRK1ABCB11
SCHEMBL7106817 0.80 OPRL1 (0.60) OPRL1OPRM1SIGMAR1DRD2CCR1
SCHEMBL10079145 0.79 OPRL1 (0.64) OPRL1OPRM1OPRD1OPRK1ABCB11
SCHEMBL6928815 0.79 OPRM1 (0.74) OPRL1OPRM1OPRD1OPRK1ABCB11
SCHEMBL12642624 0.79 OPRL1 (0.67) OPRL1OPRM1OPRD1OPRK1ABCB11
SCHEMBL3136902 0.78 OPRL1 (0.86) OPRL1OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL31557722 0.77 OPRL1 (0.62) OPRL1OPRM1OPRD1OPRK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4813917 0.77 OPRL1 (0.84) OPRL1OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL7104654 0.76 OPRM1 (0.42) OPRL1OPRM1OPRD1OPRK1DRD4

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 OPRL1 32/4885OPRM1 2/4885OPRD1 19/4885

“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.