SCHEMBL31659540

SCHEMBL31659540

NC1CNc2ccncc2C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ CYP2A6 P11509 1/20 0.31

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
SCHEMBL26620758 0.78 CHRNB2 (0.40) CHRNB2CHRNA4SIGMAR1
SCHEMBL2030277 0.75 PLAU (0.45) SIGMAR1
SCHEMBL3825586 0.75 PLAU (0.45) SIGMAR1
SCHEMBL8567210 0.75 PLAU (0.45) SIGMAR1
SCHEMBL30576492 0.75 PLAU (0.45) SIGMAR1
SCHEMBL24065105 0.74 SIGMAR1 (0.46) CHRNB2CHRNA4SIGMAR1CYP2A6
SCHEMBL29012624 0.74 GABRP (0.38) CHRNB2CHRNA4SIGMAR1
SCHEMBL30887799 0.74 CYP1A2 (0.39) CHRNB2CHRNA4SIGMAR1
SCHEMBL27010622 0.74 ROCK2 (0.34) CHRNB2CHRNA4SIGMAR1
SCHEMBL28308572 0.74 CYP1A2 (0.39) CHRNB2CHRNA4SIGMAR1

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-20250230155-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY 2025-07-17 — — 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-20250230155-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS CHRM5, CHRM4, CHRM1 CHRNB2 17/4885CHRNA4 5/4885SIGMAR1 166/4885

“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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