SCHEMBL12894697

SCHEMBL12894697

CC(=O)c1ccc2c(c1)[C@]1(C)CCN[C@H](C2)[C@H]1C

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.68
OPRD1 P41143 11/20 0.68
OPRK1 P41145 7/20 0.68
SIGMAR1 Q99720 2/20 0.68
MRGPRX2 Q96LB1 2/20 0.50

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
SCHEMBL1207167 0.86 OPRD1 (0.64) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL12159198 0.86 OPRD1 (0.64) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL18408143 0.83 OPRD1 (0.60) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL3423195 0.83 OPRD1 (0.60) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL1206566 0.83 OPRD1 (0.60) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL972352 0.81 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL14619144 0.81 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL11710419 0.81 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL13014950 0.81 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2
SCHEMBL13589886 0.81 SIGMAR1 (1.00) OPRM1OPRD1OPRK1SIGMAR1MRGPRX2

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-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-03 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-20110028445-A1 Urea derivatives of benzomorphanes and related scaffolds, medicaments containing such compounds and their use XDH, HSD11B1, HSD3B1 OPRM1 21/4885OPRD1 29/4885OPRK1 34/4885

“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.