SCHEMBL30280689

SCHEMBL30280689

CCOc1ccc([C@@H](N)CO)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CHRNA7 P36544 2/20 0.44
ACACB O00763 9/20 0.42
FFAR1 O14842 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
CYP19A1 P11511 1/20 0.34
ROCK2 O75116 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

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
SCHEMBL14480329 1.00 MAPT (0.46) MAPTCHRNA7ACACBFFAR1ITGB3
SCHEMBL14480190 1.00 MAPT (0.46) MAPTCHRNA7ACACBFFAR1ITGB3
SCHEMBL14549988 0.89 CHRNA7 (0.37) MAPTCHRNA7ACACBFFAR1ITGB3
SCHEMBL14480142 0.87 ACACB (0.44) MAPTCHRNA7ACACBFFAR1
SCHEMBL14549993 0.87 CHRNA7 (0.46) MAPTCHRNA7ACACBFFAR1ITGB3
SCHEMBL14480141 0.87 ACACB (0.44) MAPTCHRNA7ACACBFFAR1
SCHEMBL998123 0.85 NNMT (0.45) MAPTCHRNA7
SCHEMBL14480161 0.85 NNMT (0.45) MAPTCHRNA7
SCHEMBL998124 0.85 NNMT (0.45) MAPTCHRNA7
SCHEMBL14480351 0.82 MAPT (0.41) MAPTCHRNA7ACACBFFAR1ITGB3

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-20250002448-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2025-01-02 US disclosed
EP-4404935-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

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-20250002448-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRM1, CHRM5 MAPT 416/4885CHRNA7 1/4885ACACB 2294/4885

“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.