SCHEMBL161969

SCHEMBL161969

CC(C)(CCc1ncc(-c2ccc(NC(=O)NCc3ccccc3)cc2)s1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.53
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 1/20 0.49
KDR P35968 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
RORC P51449 2/20 0.44
KIT P10721 1/20 0.43
GHSR Q92847 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL161996 0.92 NAMPT (0.52) NAMPTROCK2ROCK1KDRNPC1
SCHEMBL163880 0.89 NAMPT (0.44) NAMPTROCK2
SCHEMBL162199 0.83 ALDH1A1 (0.42) NAMPTROCK2MAPTMEN1TP53
SCHEMBL174042 0.83 CNR1 (0.43) NPC1RAB9AGHSRMEN1KMT2A
SCHEMBL160829 0.83 DGAT1 (0.57) KDRNPC1RAB9AMAPTKIT
SCHEMBL160057 0.83 DGAT1 (0.54) KDRNPC1RAB9AMAPTHTT
SCHEMBL162514 0.82 DGAT1 (0.48) KDRSMN1; SMN2PTPN1
SCHEMBL162024 0.82 MAPT (0.46) NPC1RAB9AMAPTMEN1TP53
SCHEMBL161878 0.81 DGAT1 (0.52) KDRMAPTKITTP53
SCHEMBL163078 0.81 DGAT1 (0.46) NAMPTROCK1KITMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 NAMPT 32/4885ROCK2 2698/4885ROCK1 1909/4885

“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.