SCHEMBL2552574

SCHEMBL2552574

CN(C)CCOc1nc(C(F)(F)F)ccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.44
NOS2 P35228 2/20 0.44
EGLN2 Q96KS0 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MBOAT4 Q96T53 4/20 0.37
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
HTR7 P34969 1/20 0.35
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34

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
SCHEMBL2528648 0.85 SLC6A4 (0.46) SLC6A4NOS2CTSSCTSKGPR119
SCHEMBL2528904 0.83 SLC6A4 (0.46) SLC6A4NOS2GPR119MBOAT4GAA
SCHEMBL2529134 0.82 SLC6A4 (0.45) SLC6A4NOS2GPR119MBOAT4GAA
SCHEMBL2531403 0.82 SLC6A4 (0.45) SLC6A4NOS2GPR119GAAL3MBTL1
SCHEMBL2530724 0.82 SLC6A4 (0.45) SLC6A4NOS2GPR119MBOAT4GAA
SCHEMBL2528769 0.81 GAA (0.50) SLC6A4NOS2CTSSGPR119MBOAT4
SCHEMBL2532315 0.81 SLC6A4 (0.49) SLC6A4NOS2GPR119AR
SCHEMBL2526298 0.81 SLC6A4 (0.44) SLC6A4NOS2GPR119GAAL3MBTL1
SCHEMBL2526190 0.80 SLC6A4 (0.43) SLC6A4NOS2GPR119MBOAT4GAA
SCHEMBL25382669 0.79 NOS1 (0.41) NOS2EGLN2MBOAT4CHEK1CHEK2

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 10 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
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 SLC6A4 1353/4885NOS2 3639/4885EGLN2 1861/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 SLC6A4 1353/4885NOS2 3639/4885EGLN2 1861/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 SLC6A4 1353/4885NOS2 3639/4885EGLN2 1861/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 SLC6A4 1353/4885NOS2 3639/4885EGLN2 1861/4885

“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.