SCHEMBL5048207

SCHEMBL5048207

CC(=O)N1Cc2cnc(-c3ccc(N4CCOCC4)nc3)cc2C=Cc2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.53
HSD17B3 P37058 1/20 0.48
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AOC3 Q16853 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP11B2 P19099 1/20 0.39
MET P08581 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL5048199 1.00 CNR2 (0.53) CNR2HSD17B3LMNAMAPTHTT
SCHEMBL5048235 0.93 CNR2 (0.50) CNR2HSD17B3LMNAMAPTHTT
SCHEMBL5048229 0.93 CNR2 (0.50) CNR2HSD17B3LMNAMAPTHTT
SCHEMBL5042799 0.88 CNR2 (0.47) CNR2HSD17B3AOC3FGFR1FGFR4
SCHEMBL5042796 0.88 CNR2 (0.47) CNR2HSD17B3AOC3FGFR1FGFR4
SCHEMBL5042966 0.82 CNR2 (0.47) CNR2HSD17B3LMNAMAPTHTT
SCHEMBL5042964 0.82 CNR2 (0.47) CNR2HSD17B3LMNAMAPTHTT
SCHEMBL5038877 0.81 HSD17B3 (0.53) HSD17B3CYP11B2
SCHEMBL5038876 0.81 HSD17B3 (0.53) HSD17B3CYP11B2
SCHEMBL5042557 0.76 HSD17B3 (0.65) 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 3 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
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 3942/4885HSD17B3 1/4885LMNA 2571/4885

“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.