SCHEMBL174112

SCHEMBL174112

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4c(F)cccc4F)cc3)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.48
KMT2A Q03164 1/20 0.41
KDR P35968 2/20 0.39
PDGFRA P16234 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CNR1 P21554 1/20 0.38
AURKA O14965 1/20 0.37
FLT3 P36888 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
BTK Q06187 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
ERBB3 P21860 1/20 0.35
TEK Q02763 1/20 0.35
ERBB4 Q15303 1/20 0.35

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
SCHEMBL165211 0.92 KDR (0.44) DGAT1KDRFLT3BTKTEK
SCHEMBL162638 0.91 DGAT1 (0.59) DGAT1KMT2AKDRNPC1MAPT
SCHEMBL162706 0.89 DGAT1 (0.59) DGAT1KMT2AKDRCA12CA1
SCHEMBL161939 0.89 DGAT1 (0.56) DGAT1KDRCNR1AURKAFLT3
SCHEMBL163741 0.89 DGAT1 (0.48) DGAT1KMT2AKDRPDGFRANPC1
SCHEMBL158327 0.88 DGAT1 (0.47) DGAT1KMT2AKDRPDGFRACA12
SCHEMBL160673 0.88 DGAT1 (0.49) DGAT1KMT2AKDRPDGFRAAURKA
SCHEMBL174097 0.88 DGAT1 (0.58) DGAT1KMT2AKDRPDGFRAAURKA
SCHEMBL162685 0.87 DGAT1 (0.46) DGAT1KMT2AKDRCNR1AURKA
SCHEMBL161039 0.87 LCK (0.46) DGAT1KDRCNR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 1/4885KMT2A 2187/4885KDR 4203/4885

“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.