SCHEMBL173286

SCHEMBL173286

COC(=O)C1CCC(c2ncc(-c3ccc(NC(=O)Nc4cc(C)ccc4F)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.49
PDGFRB P09619 5/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
DGAT1 O75907 3/20 0.49
PKM P14618 1/20 0.47
KIT P10721 2/20 0.45
FLT3 P36888 2/20 0.45
AURKA O14965 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
MAP4K4 O95819 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
LYN P07948 1/20 0.44
RET P07949 1/20 0.44
FGFR1 P11362 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
SCHEMBL161553 0.91 DGAT1 (0.59) KDRPDGFRBRAB9ANPC1MAPT
SCHEMBL160661 0.90 DGAT1 (0.59) KDRPDGFRBMAPTDGAT1
SCHEMBL163045 0.90 DGAT1 (0.47) KDRPDGFRBRAB9ANPC1MAPT
SCHEMBL162685 0.89 DGAT1 (0.46) KDRRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL162638 0.89 DGAT1 (0.59) KDRPDGFRBRAB9ANPC1MAPT
SCHEMBL163741 0.88 DGAT1 (0.48) KDRPDGFRBRAB9ANPC1MAPT
SCHEMBL15022055 0.88 DGAT1 (0.47) KDRPDGFRBMAPTDGAT1
SCHEMBL173347 0.87 DGAT1 (0.51) KDRMAPTSMN1; SMN2DGAT1
SCHEMBL161554 0.87 NPC1 (0.48) KDRPDGFRBRAB9ANPC1MAPT
SCHEMBL161308 0.87 DGAT1 (0.61) KDRPDGFRBRAB9ANPC1MAPT

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 KDR 4203/4885PDGFRB 4369/4885RAB9A 1781/4885

“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.