SCHEMBL2790964

SCHEMBL2790964

NC(=O)c1[c]ccc(N2CCC(O)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.40
PRKDC P78527 1/20 0.39
SMPD3 Q9NY59 3/20 0.38
LCK P06239 1/20 0.38
JAK3 P52333 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
P2RX7 Q99572 1/20 0.36
TYK2 P29597 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ABL1 P00519 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
PRKAB2 O43741 2/20 0.35
PRKAG1 P54619 2/20 0.35
PRKAA2 P54646 2/20 0.35
PRKAA1 Q13131 2/20 0.35
PRKAG3 Q9UGI9 2/20 0.35
PRKAG2 Q9UGJ0 2/20 0.35
PRKAB1 Q9Y478 2/20 0.35
CHUK O15111 1/20 0.35
STAT6 P42226 1/20 0.35

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
SCHEMBL2794080 1.00 IKBKB (0.40) IKBKBPRKDCSMPD3LCKJAK3
SCHEMBL2794429 0.90 PDE10A (0.33) IKBKBSMPD3LCKJAK3HRH3
SCHEMBL3637925 0.86 PRKCQ (0.45) IKBKBLCKJAK3HRH3
SCHEMBL2790511 0.82 HRH3 (0.43) IKBKBHRH3TYK2PRKAB2PRKAG1
SCHEMBL2636590 0.82 HRH4 (0.48) HRH3
SCHEMBL2636819 0.82 MAP4K4 (0.47) IKBKBHRH3P2RX7PDE10A
SCHEMBL2792823 0.82 HRH3 (0.43) IKBKBHRH3TYK2PRKAB2PRKAG1
SCHEMBL4965500 0.81 PARP1 (0.46) IKBKBSMPD3
SCHEMBL2744801 0.80 PARP1 (0.47) IKBKBSMPD3
SCHEMBL2789582 0.79 MAP4K4 (0.55) LCKJAK3HRH3PDE10AJAK2

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 10 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-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP claimed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO 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
EP-1963313-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE (DGAT) F.HOFFMANN-LA ROCHE AG (CH) 2008-09-03 EP disclosed
WO-2007060140-A2 INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE (DGAT) F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 WO 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 IKBKB 1369/4885PRKDC 2850/4885SMPD3 99/4885
US-20100190979-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT IKBKB 1369/4885PRKDC 2850/4885SMPD3 99/4885
US-20070123504-A1 Diacylglycerol acyltransferase inhibitors DGAT2, DGAT1, LCAT IKBKB 1369/4885PRKDC 2850/4885SMPD3 99/4885

“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.