SCHEMBL2499205

SCHEMBL2499205

CCC(C)COc1ccc([C@H](CO)NC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 16/20 0.66
▸ AAK1 Q2M2I8 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL1553453 1.00 GPR88 (0.66) GPR88AAK1MAPK1MEN1KMT2A
SCHEMBL6872905 0.85 GPR88 (0.72) GPR88MEN1KMT2A
SCHEMBL2503502 0.83 GPR88 (0.64) GPR88
SCHEMBL1554164 0.83 GPR88 (0.64) GPR88
SCHEMBL1553454 0.82 GPR88 (0.48) GPR88AAK1MEN1KMT2A
SCHEMBL1555587 0.81 GPR88 (0.50) GPR88
SCHEMBL1554857 0.78 CTSS (0.40) GPR88AAK1MAPK1
SCHEMBL1554247 0.78 GPR88 (0.60) GPR88AAK1MAPK1
SCHEMBL1554282 0.75 GPR88 (0.65) GPR88
SCHEMBL2507657 0.75 GPR88 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497271-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-30 — — US disclosed
EP-2486030-B1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL MYERS SQUIBB CO (US) 2013-07-24 — — EP disclosed
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 1/4885AAK1 1143/4885MAPK1 2451/4885

“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.

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