SCHEMBL4896296

SCHEMBL4896296

CCOC(=O)C(Cc1ccccc1Cl)CN1C2CCC1CC1(C2)OCc2ccc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.39
OPRM1 P35372 4/20 0.36
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
REN P00797 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4900315 0.89 OPRL1 (0.40) OPRL1OPRM1RENCYP3A4KCNH2
SCHEMBL4697311 0.88 OPRL1 (0.46) OPRL1OPRM1
SCHEMBL4896202 0.86 OPRL1 (0.34) OPRL1
SCHEMBL4979694 0.84 OPRL1 (0.51) OPRL1
SCHEMBL4979692 0.84 OPRL1 (0.51) OPRL1
SCHEMBL4898569 0.81 OPRL1 (0.36) OPRL1OPRM1ALDH1A1
SCHEMBL4896273 0.79 OPRL1 (0.36) OPRL1OPRM1
SCHEMBL4698594 0.77 OPRL1 (0.47) OPRL1OPRM1
SCHEMBL4888844 0.76 OPRL1 (0.46) OPRL1OPRM1
SCHEMBL4900008 0.76 GRM5 (0.45) OPRL1ALDH1A1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists PFIZER INC. 2008-08-28 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-20080207665-A1 Alpha-(Aryl-or Heteroaryl-Methyl)-Beta-Piperidinopropanoic Acid Compounds as Orl-1-Receptor Antagonists OPRL1, OGFRL1, OPRD1 OPRL1 1/4885OPRM1 7/4885EPHX2 1333/4885

“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.