SCHEMBL171043

SCHEMBL171043

CCOC(=O)CC1CCC(C(=O)NCC(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.43
NAMPT P43490 1/20 0.43
MMP2 P08253 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL174525 0.87 ATM (0.44) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL168728 0.81 MAPT (0.54) ALDH1A1KMT2AMAPTATMNAMPT
SCHEMBL1756244 0.76 KMT2A (0.54) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL276340 0.74 LMNA (0.59) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL171044 0.73 DGAT1 (0.44) DGAT1ALDH1A1KMT2ALMNAMAPT
SCHEMBL166256 0.73 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAMAPTHTT
SCHEMBL685360 0.73 KMT2A (0.40) ALDH1A1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL685364 0.73 KMT2A (0.40) ALDH1A1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL4399969 0.72 MAPT (0.70) ALDH1A1KMT2ALMNAMAPTPOLB
SCHEMBL31639759 0.72 DGAT1 (0.48) DGAT1ALDH1A1KMT2ALMNAMAPT

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 1/4885ALDH1A1 369/4885KMT2A 2187/4885

“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.