SCHEMBL5042796

SCHEMBL5042796

CC(=O)N1Cc2cnc(-c3ccc(N4CCOCC4)nc3)cc2/C=C\c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.47
FGFR1 P11362 1/20 0.42
FGFR4 P22455 1/20 0.42
PDE10A Q9Y233 1/20 0.41
ATR Q13535 1/20 0.41
CYP11B2 P19099 1/20 0.41
CFTR P13569 1/20 0.40
AOC3 Q16853 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B3 P37058 1/20 0.39
ERN1 O75460 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5042799 1.00 CNR2 (0.47) CNR2FGFR1FGFR4PDE10AATR
SCHEMBL5048235 0.88 CNR2 (0.50) CNR2FGFR1FGFR4PDE10ACYP11B2
SCHEMBL5048229 0.88 CNR2 (0.50) CNR2FGFR1FGFR4PDE10ACYP11B2
SCHEMBL5048207 0.88 CNR2 (0.53) CNR2FGFR1FGFR4PDE10ACYP11B2
SCHEMBL5048199 0.88 CNR2 (0.53) CNR2FGFR1FGFR4PDE10ACYP11B2
SCHEMBL5046851 0.85 CNR2 (0.45) CNR2ATRCFTRHPGD
SCHEMBL5046854 0.85 CNR2 (0.45) CNR2ATRCFTRHPGD
SCHEMBL5043117 0.82 CNR2 (0.43) CNR2PDE10AATRCYP11B2CFTR
SCHEMBL5043122 0.82 CNR2 (0.43) CNR2PDE10AATRCYP11B2CFTR
SCHEMBL5048370 0.81 HSD17B3 (0.48) CYP11B2HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 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-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 CNR2 3942/4885FGFR1 2215/4885FGFR4 3400/4885

“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.