SCHEMBL30280602

SCHEMBL30280602

CCOc1ccc([C@H](CO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 10/20 0.47
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
ACACB O00763 4/20 0.46
CNR2 P34972 1/20 0.44
RIPK1 Q13546 1/20 0.44

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
SCHEMBL1673331 0.90 GPR88 (0.60) GPR88ACACB
SCHEMBL1673330 0.90 GPR88 (0.60) GPR88ACACB
SCHEMBL20425203 0.88 GPR88 (0.44) GPR88
SCHEMBL16805949 0.88 GAA (0.46) GPR88CYP1A2GAACYP2C9CYP2C19
SCHEMBL30280584 0.87 CHRNA7 (0.48) MEN1CYP1A2CYP3A4GAACYP2D6
SCHEMBL15229037 0.87 ALDH1A1 (0.48) GPR88
SCHEMBL1554164 0.86 GPR88 (0.64) GPR88
SCHEMBL2503502 0.86 GPR88 (0.64) GPR88
SCHEMBL17625015 0.86 GPR88 (0.56) GPR88CNR2RIPK1
SCHEMBL14044935 0.86 GPR88 (0.56) GPR88CNR2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002448-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2025-01-02 US disclosed
US-20240368109-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2024-11-07 US disclosed
EP-4404935-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS Merck Sharp & Dohme LLC (US) 2024-07-31 EP disclosed
EP-4404934-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS Merck Sharp & Dohme LLC (US) 2024-07-31 EP disclosed
WO-2023049060-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2023-03-30 WO disclosed
WO-2023049058-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2023-03-30 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 (2 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-20240368109-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 GPR88 106/4885MEN1 4877/4885CYP1A2 1832/4885
US-20250002448-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRM1, CHRM5 GPR88 82/4885MEN1 4874/4885CYP1A2 1314/4885

“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.