SCHEMBL2504950

SCHEMBL2504950

CCC[C@@H](C)COc1ccc(C(CN2CCN(C)CC2)NC(=O)[C@H]2C[C@@H]2c2cccs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 20/20 1.00

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
SCHEMBL12195447 1.00 GPR88 (1.00) GPR88
SCHEMBL12195482 0.94 GPR88 (1.00) GPR88
SCHEMBL2501521 0.94 GPR88 (1.00) GPR88
SCHEMBL12195458 0.94 GPR88 (1.00) GPR88
SCHEMBL12195457 0.88 GPR88 (1.00) GPR88
SCHEMBL2505071 0.88 GPR88 (1.00) GPR88
SCHEMBL2505108 0.81 GPR88 (1.00) GPR88
SCHEMBL13560368 0.80 GPR88 (0.79) GPR88
SCHEMBL2502436 0.80 GPR88 (1.00) GPR88
Hydrochloric Acid SCHEMBL2499515 0.80 GPR88 (0.98) GPR88

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-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-06 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-20110245264-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 GPR88 1/4885

“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.