SCHEMBL13137125

SCHEMBL13137125

Cc1cc(-c2ccc3[nH]cnc3c2)ccc1CNC1CCC(C)(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
S1PR1 P21453 1/20 0.32
PDCD1 Q15116 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
GRIN2B Q13224 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
Hydrochloric Acid SCHEMBL3039663 0.99 OPRM1 (0.32) OPRM1OPRL1S1PR1PDCD1CD274
SCHEMBL13137169 0.89 GRIN2B (0.34) S1PR1BRD4CREBBPGRIN2B
SCHEMBL13137246 0.89 MAP4K1 (0.35) OPRM1OPRL1S1PR1PDCD1CD274
SCHEMBL3043972 0.88 BACE1 (0.37) OPRM1OPRL1MAPT
SCHEMBL13137140 0.88 BMPR1B (0.37) OPRM1OPRL1MAPT
Hydrochloric Acid SCHEMBL3939331 0.88 MAP4K1 (0.35) OPRM1OPRL1S1PR1PDCD1CD274
Hydrochloric Acid SCHEMBL3044368 0.88 PDCD1 (0.32) OPRM1OPRL1S1PR1PDCD1CD274
SCHEMBL13137179 0.88 OPRL1 (0.33) OPRL1S1PR1
Hydrochloric Acid SCHEMBL3034125 0.88 BACE1 (0.36) OPRM1OPRL1
Hydrochloric Acid SCHEMBL3044290 0.88 BMPR1B (0.36) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRL1 1/4885S1PR1 577/4885

“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.