SCHEMBL701826

SCHEMBL701826

NC(=O)c1[c]ccc(N2CCNCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTR3E A5X5Y0 3/20 0.42
HTR3B O95264 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3D Q70Z44 3/20 0.42
HTR3C Q8WXA8 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PRKD1 Q15139 4/20 0.41
PRKD2 Q9BZL6 4/20 0.41
PRKD3 O94806 1/20 0.41
HTR2C P28335 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL4965500 0.86 PARP1 (0.46) KDM4EHSD17B10ALDH1A1PRKD1PRKD2
SCHEMBL2744801 0.85 PARP1 (0.47) KDM4EHSD17B10ALDH1A1PRKD1PRKD2
SCHEMBL2744970 0.82 PARP1 (0.49) HRH3KDM4EHSD17B10HTR3EHTR3B
SCHEMBL2792634 0.82 CNR2 (0.36) HRH3KDM4EALDH1A1
SCHEMBL2744690 0.82 KDM4E (0.45) KDM4EHSD17B10ALDH1A1HTTIRAK4
SCHEMBL2792970 0.81 KDM4E (0.38) HRH3KDM4EALDH1A1
SCHEMBL2794901 0.80 PARP1 (0.33) HRH3KDM4EHTR3EHTR3BHTR3A
SCHEMBL3422656 0.80 SORD (0.47) KDM4EALDH1A1USP2HTT
SCHEMBL3668358 0.80 MAP4K4 (0.47) KDM4EHSD17B10ALDH1A1AOC3
SCHEMBL2829654 0.79 HRH3 (0.47) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-8124766-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
WO-2010065310-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-06-10 WO disclosed
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MADRIGAL PHARMACEUTICALS, INC. 2010-06-10 US disclosed
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
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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 (5 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 HRH3 4353/4885KDM4E 2823/4885CYP3A4 1894/4885
US-20100145047-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT HRH3 4455/4885KDM4E 2709/4885CYP3A4 2277/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT HRH3 4353/4885KDM4E 2823/4885CYP3A4 1894/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT HRH3 4353/4885KDM4E 2823/4885CYP3A4 1894/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT HRH3 4353/4885KDM4E 2823/4885CYP3A4 1894/4885

“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.