SCHEMBL2553893

SCHEMBL2553893

Cc1ccc(CN)c(N2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CNR2 P34972 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPY5R Q15761 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NCF1 P14598 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
OPRK1 P41145 1/20 0.39
TSHR P16473 2/20 0.38

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
SCHEMBL15831847 0.98 CYP1A2 (0.41) HPGDTRPV1SMN1; SMN2CYP1A2NPSR1
SCHEMBL15831883 0.87 HRH3 (0.46) L3MBTL1OPRK1
SCHEMBL15831893 0.85 L3MBTL1 (0.45) L3MBTL1ALDH1A1OPRK1
SCHEMBL15831846 0.84 ALDH1A1 (0.44) HPGDTRPV1NPSR1L3MBTL1ALDH1A1
SCHEMBL2529568 0.84 TSHR (0.48) HPGDTRPV1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL15831867 0.83 FFAR2 (0.35) TRPV1NPY5RSCN10A
SCHEMBL15831899 0.83 CHRM3 (0.35) TRPV1
SCHEMBL15831888 0.83 PTPN11 (0.35) TRPV1CNR2SCN10A
SCHEMBL15831870 0.83 PIK3CA (0.42) HPGDTRPV1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL15831884 0.81 MAPT (0.48) HPGDSMN1; SMN2ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion SERENTRIX, LLC 2019-03-19 US disclosed
EP-2552888-B1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION SERENTRIX LLC (US) 2018-09-26 EP disclosed
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX, LLC 2017-06-01 US disclosed
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX LLC (US) 2016-10-06 US disclosed
US-9216975-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion Serentrix, LLC. (US) 2015-12-22 US disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION PHARMESTE S.R.L. (IT) 2013-03-28 US disclosed
EP-2552888-A1 \"TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION\ Pharmeste S.r.l. (IT) 2013-02-06 EP disclosed
WO-2011120604-A1 \"TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION\ PHARMESTE S.R.L. (IT) 2011-10-06 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-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 HPGD 716/4885TRPV1 1/4885SMN1; SMN2 4117/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 HPGD 716/4885TRPV1 1/4885SMN1; SMN2 4117/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 HPGD 914/4885TRPV1 1/4885SMN1; SMN2 4541/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 HPGD 716/4885TRPV1 1/4885SMN1; SMN2 4117/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 HPGD 716/4885TRPV1 1/4885SMN1; SMN2 4117/4885

“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.