SCHEMBL2107335

SCHEMBL2107335

NCc1ncccc1COc1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
PNMT P11086 2/20 0.42
NMT1 P30419 3/20 0.39
HSD11B1 P28845 2/20 0.38
IDO1 P14902 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 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
SCHEMBL4353450 0.75
SCHEMBL928758 0.75 KDM4E (0.45) DPP4KDM4EMAPTKMT2A
SCHEMBL2108784 0.74 CYP11B1 (0.43) DPP4HSD11B1KDM4EMAPTHPGD
Hydrochloric Acid SCHEMBL4537543 0.74 DPP4 (0.49) DPP4PNMTKDM4EKMT2A
SCHEMBL2491544 0.73 DPP4 (0.47) DPP4PNMTKDM4EMAPT
SCHEMBL30580351 0.72 DPP4 (0.42) DPP4PNMTKDM4EMAPTKMT2A
SCHEMBL17778287 0.69 DPP4 (0.40) DPP4KDM4EMAPT
SCHEMBL15382408 0.69 DPP4 (0.40) DPP4PNMTKDM4EMAPT
SCHEMBL11094401 0.69 L3MBTL1 (0.50) DPP4KDM4EMAPTKMT2A
SCHEMBL13793929 0.68 FABP4 (0.48) HSD11B1IDO1MAPTHPGDFABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912986-B1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-8158648-B2 Heteroaryl 11-beta hydroxysteroid dehydrogenase type I inhibitors LI JAMES J (US) 2012-04-17 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7572807-B2 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
EP-1912986-A1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I Brystol-Myers Squibb Company (US) 2008-04-23 EP disclosed
WO-2006135667-A1 IMIDIAZO -AND TRIAZOLOPYRIDINES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO disclosed
US-20060281750-A1 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-14 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 (2 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-20090306084-A1 HETEROARYL 11-BETA HYDROXYSTEROID DEHYDROGENASE TYPE I INHIBITORS HSD11B1, HSD17B1, HSD11B2 DPP4 1392/4885PNMT 3300/4885NMT1 467/4885
US-20060281750-A1 Heteroaryl 11-beta-hydroxysteroid dehydrogenase type I inhibitors HSD11B1, HSD17B1, HSD11B2 DPP4 1353/4885PNMT 3180/4885NMT1 479/4885

“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.