SCHEMBL162685

SCHEMBL162685

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccc(C)cc4)cc3)s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.46
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CNR1 P21554 1/20 0.39
AURKA O14965 2/20 0.38
KCNQ1 P51787 1/20 0.38
KDR P35968 2/20 0.38
FLT3 P36888 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL161939 0.92 DGAT1 (0.56) DGAT1ALDH1A1CNR1AURKAKDR
SCHEMBL160635 0.91 CNR1 (0.50) DGAT1MAPTCNR1AURKAKDR
SCHEMBL162401 0.89 DGAT1 (0.58) DGAT1CNR1AURKAKDRFLT3
SCHEMBL173286 0.89 KDR (0.49) DGAT1MAPTAURKAKDRFLT3
SCHEMBL163045 0.89 DGAT1 (0.47) DGAT1MAPTAURKAKDRNPC1
SCHEMBL174097 0.88 DGAT1 (0.58) DGAT1MAPTAURKAKDRFLT3
SCHEMBL161039 0.88 LCK (0.46) DGAT1CNR1KDRNPSR1
SCHEMBL163741 0.87 DGAT1 (0.48) DGAT1ALDH1A1MAPTKDRNPC1
SCHEMBL160070 0.87 DGAT1 (0.49) DGAT1ALDH1A1MAPTCNR1RAB9A
SCHEMBL174112 0.87 DGAT1 (0.48) DGAT1MAPTCNR1AURKAKDR

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 DGAT1 1/4885ALDH1A1 369/4885MAPT 137/4885

“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.