SCHEMBL2484409

SCHEMBL2484409

N#Cc1ccc(C(F)(F)F)cc1-n1cncn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CYP19A1 P11511 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
AR P10275 3/20 0.37
S1PR3 Q99500 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NTRK1 P04629 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL25762020 0.86 CYP19A1 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2076101 0.81 S1PR3 (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL25077473 0.78 CYP19A1 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL25077137 0.78 P2RX3 (0.42) CYP1A2CYP2C9CYP2C19CYP19A1KDM4E
SCHEMBL25024965 0.78 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL31053865 0.78 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL12391448 0.76 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL16335028 0.75 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL12391530 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL25077412 0.74 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2S1PR3

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-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-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
EP-2377850-A1 TRPV1 vanilloid receptor antagonists with a bicyclic portion Pharmeste S.r.l. (IT) 2011-10-19 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 ALDH1A1 2275/4885CYP1A2 2875/4885CYP2C9 2904/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 ALDH1A1 2275/4885CYP1A2 2875/4885CYP2C9 2904/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 ALDH1A1 2275/4885CYP1A2 2875/4885CYP2C9 2904/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 ALDH1A1 2275/4885CYP1A2 2875/4885CYP2C9 2904/4885

“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.