SCHEMBL165730

SCHEMBL165730

COC(=O)C(C)(C)CCc1ncc(-c2ccc(NC(=O)N3CCC(c4ccccc4)CC3)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.45
SMN1; SMN2 Q16637 7/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 5/20 0.44
MAPT P10636 3/20 0.44
STAT1 P42224 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TP53 P04637 4/20 0.43
MCHR1 Q99705 1/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.41
OGA O60502 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL161913 0.92 NAMPT (0.47) NAMPTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL163354 0.87 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL161041 0.86 ATM (0.41) NAMPTSMN1; SMN2MAPTALDH1A1
SCHEMBL162592 0.85 BLM (0.47) SMN1; SMN2NPC1RAB9AMAPTCYP2C9
SCHEMBL163377 0.84 DGAT1 (0.39) CYP3A4CYP2C9ALDH1A1TSHRKMT2A
SCHEMBL178046 0.81 NAMPT (0.47) NAMPTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL162335 0.80 RAB9A (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL178045 0.79 NAMPT (0.46) NAMPTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL161659 0.79 PTPN1 (0.48) MCHR1
Hydrochloric Acid SCHEMBL161862 0.78 KDM4E (0.44) NAMPTSMN1; SMN2MAPTALDH1A1

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 NAMPT 32/4885SMN1; SMN2 2105/4885NPC1 86/4885

“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.