SCHEMBL6502416

SCHEMBL6502416

COc1cccc2c1CC[C@@H](CN1CCC(c3cccc(F)c3)CC1)C[C@H]2O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.55
KCNH2 Q12809 7/20 0.55
OPRM1 P35372 2/20 0.52
HTR7 P34969 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
HTR1A P08908 3/20 0.41
CCR5 P51681 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 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
SCHEMBL6491481 1.00 OPRL1 (0.55) OPRL1KCNH2OPRM1HTR7SIGMAR1
SCHEMBL6502419 1.00 OPRL1 (0.55) OPRL1KCNH2OPRM1HTR7SIGMAR1
SCHEMBL6492761 1.00 OPRL1 (0.55) OPRL1KCNH2OPRM1HTR7SIGMAR1
SCHEMBL6491915 0.89 OPRL1 (0.62) OPRL1KCNH2OPRM1HTR7SIGMAR1
SCHEMBL6075429 0.89 OPRL1 (0.62) OPRL1KCNH2OPRM1HTR7SIGMAR1
SCHEMBL6491960 0.89 OPRL1 (0.62) OPRL1KCNH2OPRM1HTR7SIGMAR1
SCHEMBL6491526 0.89 OPRL1 (0.62) OPRL1KCNH2OPRM1HTR7SIGMAR1
Hydrochloric Acid SCHEMBL6493598 0.88 OPRL1 (0.61) OPRL1KCNH2OPRM1HTR7SIGMAR1
Hydrochloric Acid SCHEMBL6493608 0.88 OPRL1 (0.61) OPRL1KCNH2OPRM1HTR7SIGMAR1
Hydrochloric Acid SCHEMBL6502142 0.88 OPRL1 (0.61) OPRL1KCNH2OPRM1HTR7SIGMAR1

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-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US claimed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 US claimed
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 OPRL1 9/4885KCNH2 706/4885OPRM1 15/4885

“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.