SCHEMBL162574

SCHEMBL162574

O=C(Nc1ccc(-c2noc([C@H]3CC[C@H](C(=O)O)CC3)n2)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.49
MAPT P10636 3/20 0.49
PKM P14618 1/20 0.49
XBP1 P17861 1/20 0.49
TRPV1 Q8NER1 4/20 0.48
HDAC4 P56524 4/20 0.48
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GALK1 P51570 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL162488 1.00 SCN10A (0.49) SCN10AMAPTPKMXBP1TRPV1
SCHEMBL163930 0.85 HDAC4 (0.51) MAPTHDAC4SMN1; SMN2ALDH1A1MEN1
SCHEMBL15021866 0.85 HDAC4 (0.51) MAPTHDAC4SMN1; SMN2ALDH1A1MEN1
SCHEMBL174329 0.85 S1PR4 (0.49) MAPTTRPV1HDAC4SMN1; SMN2ALDH1A1
SCHEMBL162177 0.85 S1PR4 (0.49) MAPTTRPV1HDAC4SMN1; SMN2ALDH1A1
SCHEMBL176217 0.81 SCN10A (0.51) SCN10AMAPTPKMXBP1SMN1; SMN2
SCHEMBL173828 0.77 HSD11B1 (0.48) ALDH1A1MAPK1LMNATSHRKDM4E
SCHEMBL174062 0.77 HSD11B1 (0.48) ALDH1A1MAPK1LMNATSHRKDM4E
SCHEMBL30584793 0.77 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL162121 0.76 NPC1 (0.56) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 SCN10A 1771/4885MAPT 137/4885PKM 2066/4885

“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.