SCHEMBL12384697

SCHEMBL12384697

CC(C)[C@H]1CC[C@H](N2CC[C@@H](C#N)C2)CC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 19/20 0.38
OPRM1 P35372 16/20 0.38
OPRK1 P41145 11/20 0.38
OPRD1 P41143 5/20 0.38
KDM2B Q8NHM5 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
SCHEMBL12384703 0.89 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1
SCHEMBL15014587 0.80 KDM2B (0.37) KDM2B
SCHEMBL23589017 0.77 HRH3 (0.33) KDM2B
SCHEMBL24854194 0.77 HRH3 (0.33) KDM2B
SCHEMBL17285903 0.77 ALDH1A1 (0.41) KDM2B
SCHEMBL20096182 0.76 KDM2B (0.42) OPRL1OPRM1OPRK1OPRD1KDM2B
SCHEMBL20095966 0.76 KDM2B (0.42) OPRL1OPRM1OPRK1OPRD1KDM2B
SCHEMBL20095968 0.76 KDM2B (0.42) OPRL1OPRM1OPRK1OPRD1KDM2B
SCHEMBL10216734 0.74 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1
SCHEMBL23588931 0.74 L3MBTL3 (0.33) KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 OPRL1 3542/4885OPRM1 3594/4885OPRK1 2237/4885

“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.