SCHEMBL2520160

SCHEMBL2520160

CC[C@H](C)[C@@H](CN(C(=O)C1CC1c1ccccn1)c1ccc(-c2ccc(COC)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 20/20 0.72
SLC6A4 P31645 2/20 0.64
OPRK1 P41145 2/20 0.64

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
SCHEMBL2524870 0.93 GPR88 (0.70) GPR88SLC6A4OPRK1
SCHEMBL2516818 0.93 GPR88 (0.70) GPR88SLC6A4OPRK1
SCHEMBL2523982 0.89 GPR88 (0.72) GPR88
SCHEMBL2522745 0.89 GPR88 (0.72) GPR88
SCHEMBL2521193 0.89 GPR88 (0.69) GPR88SLC6A4OPRK1
SCHEMBL2521192 0.89 GPR88 (0.69) GPR88SLC6A4OPRK1
SCHEMBL2521906 0.89 GPR88 (0.69) GPR88SLC6A4OPRK1
SCHEMBL2521901 0.89 GPR88 (0.69) GPR88SLC6A4OPRK1
SCHEMBL2520724 0.88 GPR88 (0.57) GPR88
SCHEMBL15135163 0.88 GPR88 (0.65) GPR88SLC6A4OPRK1

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
EP-2486014-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-31 EP disclosed
US-8426414-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-23 US disclosed
US-20110251204-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 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-20110251204-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 GPR88 1/4885SLC6A4 2368/4885OPRK1 219/4885

“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.