SCHEMBL2552235

SCHEMBL2552235

CN(C)CCOc1cc(C(F)(F)F)ccc1CN

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
ESR1 P03372 2/20 0.40
HTR7 P34969 3/20 0.39
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
SLC6A9 P48067 1/20 0.37
IDO1 P14902 1/20 0.37
HTR1B P28222 1/20 0.37

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
SCHEMBL2527871 0.82 PTGDR2 (0.46) HTR2ASLC6A4KCNH2ESR1IDO1
SCHEMBL14672453 0.81 KDM4E (0.59) KDM4EHTR2ASLC6A4KCNH2RXFP1
SCHEMBL12398619 0.79 KDM4E (0.54) KDM4ESLC6A4RXFP1ESR1HTR7
SCHEMBL167177 0.79 KDM4E (0.74) KDM4ERXFP1ESR1HTR7SLC6A9
SCHEMBL1306905 0.78 KDM4E (0.49) KDM4EKEAP1NFE2L2HTR7DRD2
SCHEMBL40215 0.77 HTR2A (0.46) HTR2ASLC6A4KCNH2IDO1
SCHEMBL29673193 0.77 HTR2A (0.46) HTR2ASLC6A4KCNH2IDO1
SCHEMBL2548121 0.76 KDM4E (0.47) KDM4ESLC6A4RXFP1ESR1HTR7
SCHEMBL16559753 0.75 KDM4E (0.60) KDM4ERXFP1UTS2RESR1HTR7
SCHEMBL13130473 0.74 KDM4E (0.51) KDM4ERXFP1UTS2RESR1HTR7

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 8 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-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 (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-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 KDM4E 3115/4885HTR2A 277/4885SLC6A4 1353/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 KDM4E 3115/4885HTR2A 277/4885SLC6A4 1353/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 KDM4E 3115/4885HTR2A 277/4885SLC6A4 1353/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 KDM4E 3115/4885HTR2A 277/4885SLC6A4 1353/4885

“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.