SCHEMBL162111

SCHEMBL162111

CC(C)(CCc1ncc(-c2ccc(NC(=O)N3CCOCC3)cc2)s1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.43
ESR2 Q92731 1/20 0.43
BLM P54132 1/20 0.43
CNR2 P34972 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MLYCD O95822 1/20 0.42
AOC3 Q16853 2/20 0.41
PRMT6 Q96LA8 1/20 0.41
LMNA P02545 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
SCHEMBL162592 0.91 BLM (0.47) RAB9ANPC1MEN1KMT2ACYP2C9
SCHEMBL162335 0.90 RAB9A (0.44) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL161862 0.89 KDM4E (0.44) SMN1; SMN2MAPTCNR2ALDH1A1
SCHEMBL159074 0.87 DGAT1 (0.42) SMN1; SMN2
SCHEMBL161913 0.85 NAMPT (0.47) RAB9ANPC1CYP2C9SMN1; SMN2MAPT
SCHEMBL163354 0.81 SMN1; SMN2 (0.45) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL161041 0.80 ATM (0.41) SMN1; SMN2MAPTALDH1A1
SCHEMBL163377 0.78 DGAT1 (0.39) KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL165730 0.78 NAMPT (0.45) RAB9ANPC1MEN1KMT2ACYP2C9
SCHEMBL27930057 0.78 HDAC6 (0.34) CNR2

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 7 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
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed
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 RAB9A 1781/4885NPC1 86/4885MEN1 2803/4885

“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.