SCHEMBL1168262

SCHEMBL1168262

O=C(O)c1cccc(OCc2ccc(F)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 1.00
MAOB P27338 1/20 0.76
MRGPRX4 Q96LA9 1/20 0.71
NR4A1 P22736 1/20 0.68
NR4A3 Q92570 1/20 0.68
PPARA Q07869 4/20 0.67
KMT2A Q03164 1/20 0.65
SRD5A2 P31213 1/20 0.63
HPD P32754 1/20 0.63
RXRA P19793 1/20 0.61
RXRB P28702 1/20 0.61
RXRG P48443 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL30994900 0.88 NR4A2 (0.82) NR4A2MAOBMRGPRX4NR4A1NR4A3
SCHEMBL27815839 0.88 NR4A2 (0.82) NR4A2MAOBMRGPRX4NR4A1NR4A3
SCHEMBL30207018 0.87 NR4A2 (1.00) NR4A2MAOBMRGPRX4NR4A1NR4A3
SCHEMBL339009 0.87 NR4A2 (1.00) NR4A2MAOBMRGPRX4NR4A1NR4A3
SCHEMBL4640232 0.87 NR4A2 (0.76) NR4A2MAOBMRGPRX4KMT2AHPD
SCHEMBL1123155 0.86 NR4A2 (0.91) NR4A2MAOBMRGPRX4NR4A1NR4A3
Hydrochloric Acid SCHEMBL4748074 0.86 NR4A2 (0.97) NR4A2MAOBMRGPRX4NR4A1NR4A3
SCHEMBL7052037 0.85 NR4A2 (1.00) NR4A2MAOBMRGPRX4NR4A1NR4A3
SCHEMBL7221881 0.85 MAOB (0.78) NR4A2MAOBMRGPRX4NR4A1NR4A3
SCHEMBL1122713 0.84 NR4A2 (0.94) NR4A2MAOBMRGPRX4NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150526-B1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE VTV THERAPEUTICS LLC (US) 2017-09-20 EP disclosed
US-8907096-B2 N-adamantyl benzamides as inhibitors of 11-β-hydroxysteroid dehydrogenase HIGH POINT PHARMACEUTICALS, LLC (US) 2014-12-09 US disclosed
US-20140315905-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE VTV THERAPEUTICS LLC 2014-10-23 US disclosed
US-8809540-B2 N-adamantyl benzamides as inhibitors of 11-beta-hydroxysteroid dehydrogenase HIGH POINT PHARMACEUTICALS, LLC (US) 2014-08-19 US disclosed
US-20130231341-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (US) 2013-09-05 US disclosed
US-8383820-B2 N-adamantyl benzamides as inhibitors of 11-β-hydroxysteroid dehydrogenase HIGH POINT PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20110039853-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC 2011-02-17 US disclosed
CN-101679217-A N-adamantyl benzamides as 11 beta-hydroxysteroid dehydrogenase inhibitors HIGH POINT PHARMACEUTICALS LLC 2010-03-24 CN disclosed
EP-2150526-A2 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE High Point Pharmaceuticals, LLC (US) 2010-02-10 EP disclosed
WO-2008101914-A2 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HIGH POINT PHARMACEUTICALS, LLC (GB) 2008-08-28 WO disclosed
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
US-3764702-A TREATMENT OF THROMBOSIS SCIENCE UNION & CIE 1973-10-09 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 (6 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 NR4A2 969/4885MAOB 721/4885MRGPRX4 3754/4885
US-20110039853-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 NR4A2 1878/4885MAOB 1487/4885MRGPRX4 3555/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 NR4A2 679/4885MAOB 1871/4885MRGPRX4 4239/4885
US-20130231341-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 NR4A2 1878/4885MAOB 1487/4885MRGPRX4 3555/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 NR4A2 679/4885MAOB 1871/4885MRGPRX4 4239/4885
US-20140315905-A1 N-ADAMANTYL BENZAMIDES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE HSD11B1, HSD3B1, HSD17B1 NR4A2 1878/4885MAOB 1487/4885MRGPRX4 3555/4885

“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.