SCHEMBL5046854

SCHEMBL5046854

CC(=O)N1Cc2ccc(-c3ccc(N4CCOCC4)nc3)nc2C=Cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.45
ATR Q13535 3/20 0.44
NR3C1 P04150 1/20 0.41
ADK P55263 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CFTR P13569 1/20 0.39
MTOR P42345 2/20 0.39
HDAC10 Q969S8 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
SCHEMBL5046851 1.00 CNR2 (0.45) CNR2ATRNR3C1ADKHPGD
SCHEMBL5043122 0.85 CNR2 (0.43) CNR2ATRHPGDCFTR
SCHEMBL5043117 0.85 CNR2 (0.43) CNR2ATRHPGDCFTR
SCHEMBL5042796 0.85 CNR2 (0.47) CNR2ATRHPGDCFTR
SCHEMBL5042799 0.85 CNR2 (0.47) CNR2ATRHPGDCFTR
SCHEMBL5038780 0.80 HSD17B3 (0.39) ATRHPGDMAPTMTOR
SCHEMBL5038784 0.80 HSD17B3 (0.39) ATRHPGDMAPTMTOR
SCHEMBL5038765 0.80 HSD17B3 (0.45)
SCHEMBL5038764 0.80 HSD17B3 (0.45)
SCHEMBL4800557 0.80 HSD17B3 (0.41)

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 5 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
EP-1725565-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 Bristol-Myers Squibb Company (US) 2006-11-29 EP disclosed
WO-2005084295-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO 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 3942/4885ATR 3781/4885NR3C1 290/4885

“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.