SCHEMBL161205

SCHEMBL161205

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.45
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
TP53 P04637 2/20 0.42
POLB P06746 2/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 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
SCHEMBL162024 0.92 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1CNR1KDM4E
SCHEMBL164809 0.90 MAPT (0.42) MAPTSMN1; SMN2CNR1LMNARAB9A
SCHEMBL164317 0.90 CNR1 (0.47) MAPTSMN1; SMN2ALDH1A1CNR1KDM4E
SCHEMBL162879 0.89 RAB9A (0.44) SMN1; SMN2CNR1RAB9ANPC1MEN1
SCHEMBL160684 0.87 DGAT1 (0.49) MAPTSMN1; SMN2CNR1LMNARAB9A
SCHEMBL160328 0.86 DGAT1 (0.40) MAPTCNR1TP53
SCHEMBL160962 0.85 ALDH1A1 (0.42) MAPTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL159242 0.85 DGAT1 (0.51) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL161882 0.85 DGAT1 (0.53) MAPTSMN1; SMN2CNR1KDM4ELMNA
SCHEMBL161621 0.85 DGAT1 (0.51) MAPTSMN1; SMN2KDM4ERAB9ANPC1

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 MAPT 137/4885SMN1; SMN2 2105/4885ALDH1A1 369/4885

“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.