SCHEMBL161606

SCHEMBL161606

O=C(O)CCCc1nnc(-c2ccc(NC(=O)c3ccc(OC(F)(F)F)cc3)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.50
NAMPT P43490 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
ABL1 P00519 7/20 0.45
GCGR P47871 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL158877 0.91 TRPV1 (0.49) TRPV1NAMPTHDAC3HDAC4HDAC1
SCHEMBL15022137 0.85 NR1H4 (0.54) NR1H4HDAC6MEN1KMT2ASMN1; SMN2
SCHEMBL160757 0.84 NR1H4 (0.67) TRPV1NR1H4HDAC3HDAC11HDAC8
SCHEMBL15021986 0.77 RXFP1 (0.50) TRPV1NR1H4HDAC6MEN1KMT2A
SCHEMBL161921 0.77 SMN1; SMN2 (0.55) TRPV1NR1H4HDAC3HDAC11HDAC8
SCHEMBL163546 0.74 MEN1 (0.54) HDAC1HDAC2MEN1KMT2AFFAR1
SCHEMBL161640 0.73 MAPT (0.53) MEN1HTTKMT2ASMN1; SMN2FFAR1
SCHEMBL22815772 0.71 TRPV1 (0.69) TRPV1NAMPTHDAC3HDAC4HDAC1
SCHEMBL14965865 0.70 TRPV1 (0.72) TRPV1NAMPTNR1H4HDAC3HDAC4
SCHEMBL23923175 0.70 P2RY1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2

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 TRPV1 2426/4885NAMPT 32/4885NR1H4 445/4885

“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.