SCHEMBL2789599

SCHEMBL2789599

COC[C@H](C)N(C)c1cc[c]c(C(N)=O)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.33
HRH3 Q9Y5N1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2794270 0.82 GRM1 (0.31)
SCHEMBL2792577 0.79 SLC9A5 (0.36) ACACBHRH3
SCHEMBL2791907 0.77 ALDH1A1 (0.33) ACACBHRH3ALDH1A1RAB9A
SCHEMBL2791064 0.76 HSD17B10 (0.34) ALDH1A1HPGDRAB9A
SCHEMBL2792337 0.76 NCF1 (0.32)
SCHEMBL2792612 0.74 CRHR1 (0.36) ACACBALDH1A1HPGD
SCHEMBL2794332 0.74 KDM4E (0.32) HRH3ALDH1A1HTT
SCHEMBL2792018 0.74 AOC3 (0.34)
SCHEMBL4970895 0.73 HCAR3 (0.46) ACACBALDH1A1HPGDHTTRAB9A
SCHEMBL2792079 0.72 ELANE (0.33) RAB9A

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-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP claimed
EP-1963313-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) MADRIGAL PHARMACEUTICALS INC (US) 2012-11-14 EP disclosed
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2010-07-29 US disclosed
US-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors BOLIN DAVID ROBERT 2010-07-01 US disclosed
US-7714126-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2010-05-11 US disclosed
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. 2007-05-31 US 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 (3 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-20100168419-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ACACB 43/4885HRH3 4353/4885ALDH1A1 573/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT ACACB 43/4885HRH3 4353/4885ALDH1A1 573/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT ACACB 43/4885HRH3 4353/4885ALDH1A1 573/4885

“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.