SCHEMBL3633148

SCHEMBL3633148

NC(=O)c1ccc(C2CCN(C(=O)C3CC(O)C(O)C3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.51
HRH3 Q9Y5N1 2/20 0.46
PARP14 Q460N5 5/20 0.45
CYP2C9 P11712 2/20 0.45
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NAMPT P43490 3/20 0.40
ACACB O00763 1/20 0.40
ACACA Q13085 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
SLC9A1 P19634 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC18A3 Q16572 1/20 0.39
TNKS O95271 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL3634210 0.88 PARP10 (0.55) PARP10HRH3PARP14CYP2C9CA12
SCHEMBL3635417 0.86 PARP10 (0.53) PARP10HRH3PARP14CYP2C9SLC9A1
SCHEMBL3809829 0.86 SLC18A3 (0.51) HRH3NAMPTSLC18A3BACE1
SCHEMBL3631718 0.84 PARP10 (0.52) PARP10HRH3PARP14CYP2C9CA12
SCHEMBL3303476 0.83 PARP10 (0.48) PARP10HRH3PARP14CYP2C9NAMPT
SCHEMBL3635174 0.80 NAMPT (0.59) PARP10PARP14NAMPT
SCHEMBL3304709 0.80 HPGD (0.51) PARP10HRH3CYP2C9
SCHEMBL7371984 0.79 PARP10 (0.58) PARP10HRH3PARP14CYP2C9CA12
SCHEMBL3297761 0.77 HTT (0.50) PARP10HRH3CYP2C9NAMPTACACB
SCHEMBL3303976 0.77 POLB (0.49) PARP10HRH3CYP2C9NAMPT

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-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP10 1539/4885HRH3 4353/4885PARP14 1803/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP10 1539/4885HRH3 4353/4885PARP14 1803/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP10 1539/4885HRH3 4353/4885PARP14 1803/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT PARP10 1539/4885HRH3 4353/4885PARP14 1803/4885

“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.