SCHEMBL2489832

SCHEMBL2489832

COc1cc(OC)cc(C(=O)NC(C)(C)C(=O)Nc2nc(-c3ccccc3)c(Cc3ccccc3)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 8/20 0.57
PLTP P55058 3/20 0.52
RORC P51449 1/20 0.47
DGAT1 O75907 2/20 0.46
ADORA1 P30542 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2490614 0.93 NPC1 (0.51) TRPV4PLTPRORCDGAT1ADORA1
SCHEMBL2491014 0.92 ADORA1 (0.55) TRPV4PLTPRORCDGAT1ADORA1
SCHEMBL2314988 0.90 TRPV4 (0.54) TRPV4PLTPRORCDGAT1ADORA1
SCHEMBL2487506 0.88 PLTP (0.52) TRPV4PLTPRORCDGAT1ADORA1
SCHEMBL12206433 0.86 TRPV4 (0.46) TRPV4PLTPRORCDGAT1ADORA1
SCHEMBL2487253 0.85 PLTP (0.50) TRPV4PLTPRORCDGAT1ADORA1
SCHEMBL2485677 0.85 PLTP (0.51) PLTPRORCDGAT1ADORA1HPGD
SCHEMBL1304252 0.85 TRPV4 (0.66) TRPV4PLTPADORA1MAPTADORA3
SCHEMBL2487360 0.85 DGAT1 (0.63) PLTPRORCDGAT1ADORA1HPGD
SCHEMBL2487641 0.85 DGAT1 (0.49) PLTPRORCDGAT1ADORA1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703761-B2 Organic compounds NOVARTIS AG (CH) 2014-04-22 US disclosed
EP-2559455-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2013-02-20 EP disclosed
EP-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP disclosed
EP-2548618-A2 Organic compounds Novartis AG (CH) 2013-01-23 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
EP-2380631-A1 Heteroaryl derivatives as DGAT1 inhibitors Novartis AG (CH) 2011-10-26 EP disclosed
CN-102119047-A Heteroaryl derivatives as DGAT1 inhibitors NOVARTIS AG 2011-07-06 CN disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
US-20100022513-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-28 US disclosed
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 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 (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-20100022513-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 TRPV4 3122/4885PLTP 575/4885RORC 1166/4885

“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.