SCHEMBL2547927

SCHEMBL2547927

Cc1ccc(CN)c(OC(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
PDCD1LG2 Q9BQ51 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
CSNK2A1 P68400 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
PDE10A Q9Y233 2/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL5010358 0.79 CD274 (0.51) PDCD1LG2CD274KDM4EHSD17B10MAPT
SCHEMBL15831966 0.79 LMNA (0.42) MEN1KMT2ANOS3NOS1PDCD1LG2
SCHEMBL2526238 0.77 TRPV1 (0.43) NOS3NOS1PDCD1LG2CD274
SCHEMBL15831959 0.77 TDP1 (0.40) MEN1KMT2ANOS3NOS1PDCD1LG2
SCHEMBL15831956 0.76 HSD17B10 (0.39) NOS3NOS1PDCD1LG2CD274KDM4E
SCHEMBL23458439 0.76 CCNA2 (0.37) MEN1KMT2ANOS3KDM4EUSP2
SCHEMBL29983687 0.76 CCNA2 (0.37) MEN1KMT2ANOS3KDM4EUSP2
SCHEMBL21585395 0.75 KMT2A (0.41) MEN1KMT2AKDM4EUSP2HPGD
SCHEMBL15831969 0.74 NOS3 (0.39) NOS3NOS1PDCD1LG2CD274CSNK2A1
SCHEMBL15831991 0.72 MEN1 (0.42) MEN1KMT2AKDM4EHPGDMAPT

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 MEN1 4370/4885KMT2A 4287/4885NOS3 2629/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 MEN1 4370/4885KMT2A 4287/4885NOS3 2629/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 MEN1 4313/4885KMT2A 4566/4885NOS3 4265/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 MEN1 4370/4885KMT2A 4287/4885NOS3 2629/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 MEN1 4370/4885KMT2A 4287/4885NOS3 2629/4885

“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.