SCHEMBL701917

SCHEMBL701917

O=CCC(C(=O)O)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
OPRD1 P41143 8/20 0.34
SLC6A4 P31645 2/20 0.33
LMNA P02545 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
OPRM1 P35372 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHKA P35790 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11442620 0.81 SIGMAR1 (0.39) SIGMAR1OPRD1SLC6A4CHRM5CHRM3
SCHEMBL9167411 0.79 SIGMAR1 (0.38) SIGMAR1OPRD1SLC6A4LMNACHRM5
SCHEMBL8310688 0.79 SIGMAR1 (0.41) SIGMAR1OPRD1SLC6A4LMNACHRM5
SCHEMBL3401494 0.78 SLC6A2 (0.49) SIGMAR1OPRD1SLC6A4MEN1KMT2A
SCHEMBL28108702 0.78 HSD17B10 (0.50) LMNAKMT2AHSD17B10
SCHEMBL14735626 0.77 PTPN1 (0.33)
SCHEMBL9161735 0.77 SIGMAR1 (0.37) SIGMAR1OPRD1SLC6A4LMNACHRM5
SCHEMBL9158636 0.77 SIGMAR1 (0.37) SIGMAR1OPRD1SLC6A4LMNACHRM5
SCHEMBL7317195 0.77 HSD17B10 (0.38) SIGMAR1OPRD1SLC6A4LMNACA2
SCHEMBL1494478 0.77 SIGMAR1 (0.43) SIGMAR1OPRD1SLC6A4CHRM5CHRM3

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-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US claimed
EP-2367817-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-09-28 EP claimed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO claimed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US claimed

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-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT SIGMAR1 4625/4885OPRD1 3529/4885SLC6A4 3546/4885

“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.