SCHEMBL2558799

SCHEMBL2558799

Cc1ccc(C#N)c(N2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
ALDH1A1 P00352 9/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 6/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 8/20 0.43
ALOX15 P16050 5/20 0.43
CASP1 P29466 5/20 0.43
CASP7 P55210 5/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL15831794 0.98 FFAR4 (0.50) ARFFAR4ALDH1A1LMNAMAPT
SCHEMBL15831819 0.98 FFAR4 (0.50) ARFFAR4ALDH1A1LMNAMAPT
SCHEMBL15831832 0.98 FFAR4 (0.50) ARFFAR4ALDH1A1LMNAMAPT
SCHEMBL24825554 0.87 AR (0.57) ARALDH1A1LMNAMAPTHTT
SCHEMBL17871933 0.86 KDM4E (0.56) FFAR4ALDH1A1MAPTKDM4ETSHR
SCHEMBL16792963 0.86 AR (0.56) ARALDH1A1LMNAMAPTHTT
SCHEMBL15831795 0.85 MAPK1 (0.54) FFAR4ALDH1A1LMNAMAPTHTT
SCHEMBL30918449 0.85 HTR1A (0.51) FFAR4ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL15831825 0.85 FFAR4 (0.48) FFAR4ALDH1A1LMNAMAPTHTT
SCHEMBL5345746 0.85 HTR1A (0.51) FFAR4ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
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
CN-102858742-B Trpv1 vanilloid receptor antagonists with a bicyclic portion PHARMESTE SRL 2015-05-27 CN 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
CN-102858742-A Trpv1 vanilloid receptor antagonists with a bicyclic portion PHARMESTE SRL 2013-01-02 CN 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 AR 1188/4885FFAR4 304/4885ALDH1A1 2275/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 AR 1188/4885FFAR4 304/4885ALDH1A1 2275/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 AR 1239/4885FFAR4 100/4885ALDH1A1 2444/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 AR 1188/4885FFAR4 304/4885ALDH1A1 2275/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 AR 1188/4885FFAR4 304/4885ALDH1A1 2275/4885

“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.