SCHEMBL174149

SCHEMBL174149

O=COC1CCC(c2ncc(-c3ccc(NC(=O)Nc4ccccc4Cl)cc3)s2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.55
TEK Q02763 3/20 0.44
EPHB4 P54760 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CNR1 P21554 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL163680 0.93 DGAT1 (0.47) DGAT1TEKEPHB4MAPTMEN1
SCHEMBL174659 0.89 CNR1 (0.49) DGAT1MAPTMEN1KMT2ACNR1
SCHEMBL161468 0.88 DGAT1 (0.42) DGAT1MAPTNPC1RAB9AKIT
SCHEMBL159540 0.88 DGAT1 (0.45) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL165053 0.88 DGAT1 (0.42) DGAT1TEKEPHB4NPSR1CNR1
SCHEMBL173788 0.86 KDR (0.45) DGAT1TEKEPHB4MAPTMEN1
SCHEMBL161395 0.86 DGAT1 (0.46) DGAT1KITKDREPHX2
SCHEMBL161895 0.86 DGAT1 (0.72) DGAT1TEKEPHB4MAPTMEN1
SCHEMBL159427 0.85 DGAT1 (0.44) DGAT1CNR1
SCHEMBL161666 0.85 DGAT1 (0.59) DGAT1TEKEPHB4MAPTMEN1

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 3 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 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 1/4885TEK 3387/4885EPHB4 4472/4885

“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.