SCHEMBL4836747

SCHEMBL4836747

O=C(OCc1ccccc1)N1CCC(c2ccn3c(-c4ccncn4)c(-c4ccc(F)cc4)nc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.47
TRPC7 Q9HCX4 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL4468918 0.89 MAPK14 (0.52)
SCHEMBL4835253 0.89 TRPC3 (0.49) TRPC3TRPC7
SCHEMBL4893233 0.88 TRPC3 (0.47) TRPC3TRPC7
SCHEMBL4906701 0.88 TRPC3 (0.47) TRPC3TRPC7
SCHEMBL4470242 0.82 TRPC3 (0.51) TRPC3TRPC7GRIN2B
SCHEMBL4835277 0.80
SCHEMBL4838636 0.77 TRPC3 (0.46) TRPC3TRPC7GRIN2B
SCHEMBL4832799 0.77 USP7 (0.48)
SCHEMBL4458503 0.77 TRPC3 (0.53) TRPC3TRPC7GRIN2B
SCHEMBL14064418 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429590-B2 Antiprotozoal imidazopyridine compounds MERCK & CO. INC. (US) 2008-09-30 US disclosed
US-20060293303-A1 Antiprotozoal imidazopyridine compounds MERCK SHARP & DOHME LLC 2006-12-28 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-20060293303-A1 Antiprotozoal imidazopyridine compounds PNPO, PIR, PNP TRPC3 4659/4885TRPC7 4549/4885CYP3A4 275/4885

“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.