SCHEMBL19831817

SCHEMBL19831817

CCC(C)[C@@H]1C[C@H]1c1nsc(-c2cccc(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.52
TRPM8 Q7Z2W7 8/20 0.42
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GCGR P47871 1/20 0.34
DCK P27707 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL19398586 0.88 CHRNA7 (0.55) CHRNA7TRPM8KDM4ESMN1; SMN2MAPT
SCHEMBL19399180 0.80 CHRNA7 (0.60) CHRNA7TRPM8KDM4ESMN1; SMN2MAPT
SCHEMBL23964628 0.73 CHRNA7 (0.54) CHRNA7TRPM8KDM4ESMN1; SMN2MAPT
SCHEMBL19378302 0.68 CHRNA7 (1.00) CHRNA7KDM4EMAPT
SCHEMBL19398597 0.67 CHRNA7 (0.38) CHRNA7TRPM8KDM4EMAPT
SCHEMBL4607588 0.64 KDM4E (0.43) CHRNA7TRPM8KDM4ESMN1; SMN2DCK
SCHEMBL4606885 0.63 CHRNA7 (0.48) CHRNA7TRPM8KDM4ESMN1; SMN2
SCHEMBL4604558 0.62 CHRNA7 (0.38) CHRNA7TRPM8KDM4ESMN1; SMN2
SCHEMBL19405335 0.62 CHRNA7 (0.38) CHRNA7TRPM8KDM4ESMN1; SMN2MAPT
SCHEMBL18924618 0.61 SMN1; SMN2 (0.68) KDM4ESMN1; SMN2MAPT

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-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 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-20180030007-A1 ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 CHRNA7 1/4885TRPM8 428/4885KDM4E 3723/4885

“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.