SCHEMBL2174555

SCHEMBL2174555

COc1cc(OCc2ccccc2)ccc1CC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
TDP1 Q9NUW8 1/20 0.49
MAOB P27338 4/20 0.48
FFAR1 O14842 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
TNF P01375 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13195398 0.85 S1PR1 (0.54) L3MBTL1MAOBFFAR1MRGPRX4SMN1; SMN2
SCHEMBL1097150 0.85 L3MBTL1 (0.61) L3MBTL1TDP1MAOBFFAR1MRGPRX4
SCHEMBL13195508 0.84 MAOB (0.49) L3MBTL1MTNR1AMTNR1BMAOBGAA
SCHEMBL13195438 0.84 S1PR1 (0.53) MAOBMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL29592445 0.84 MAOB (0.49) MTNR1AMTNR1BMAOBFFAR1MRGPRX4
SCHEMBL21455761 0.83 MTNR1A (0.59) MTNR1AMTNR1BMRGPRX4KDM4ENPC1
SCHEMBL13191491 0.83 PPARA (0.48) L3MBTL1TDP1FFAR1NPC1RAB9A
SCHEMBL2173579 0.83 L3MBTL1 (0.58) L3MBTL1MTNR1AMTNR1BTDP1MAOB
SCHEMBL14970599 0.81 MAOB (0.55) MAOBFFAR1MRGPRX4
SCHEMBL5446276 0.81 L3MBTL1 (0.53) L3MBTL1MTNR1AMTNR1BMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 EP disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-7973164-B2 Quinoline derivatives ASTRAZENECA AB (SE) 2011-07-05 US disclosed
US-20090076074-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-1994025-A1 QUINOLINE DERIVATIVES AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007113548-A1 NAPHTHYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
WO-2007099326-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-07 WO 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-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR L3MBTL1 4844/4885MTNR1A 194/4885MTNR1B 81/4885
US-20090076074-A1 QUINOLINE DERIVATIVES RECQL, NQO2, CCNA1 L3MBTL1 3797/4885MTNR1A 291/4885MTNR1B 345/4885

“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.