SCHEMBL4801463

SCHEMBL4801463

CNC(=O)c1ccccc1-c1cc2c(cc1F)C=Cc1cc(Cl)ccc1N(C(C)=O)C2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 14/20 0.56
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
NUDT1 P36639 1/20 0.36
NOTUM Q6P988 1/20 0.36
GAA P10253 1/20 0.36
INSR P06213 1/20 0.36
MET P08581 1/20 0.36

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
SCHEMBL4801450 1.00 HSD17B3 (0.56) HSD17B3CHRM2CHRM4CHRM5CHRM1
SCHEMBL4796170 0.93 HSD17B3 (0.54) HSD17B3CHRM2CHRM4CHRM5CHRM1
SCHEMBL4796176 0.93 HSD17B3 (0.54) HSD17B3CHRM2CHRM4CHRM5CHRM1
SCHEMBL4795134 0.90 HSD17B3 (0.60) HSD17B3NOTUM
SCHEMBL4795135 0.90 HSD17B3 (0.60) HSD17B3NOTUM
SCHEMBL4800142 0.89 HSD17B3 (0.46) HSD17B3NOTUMGAA
SCHEMBL4800132 0.89 HSD17B3 (0.46) HSD17B3NOTUMGAA
SCHEMBL4049557 0.87 HSD17B3 (0.54) HSD17B3DRD2DRD1
SCHEMBL4049553 0.87 HSD17B3 (0.54) HSD17B3DRD2DRD1
SCHEMBL4223294 0.85 HSD17B3 (0.71) HSD17B3

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-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885CHRM2 4776/4885CHRM4 4757/4885

“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.