SCHEMBL2553151

SCHEMBL2553151

CC(C)Oc1cc(C(F)(F)F)ccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
NOS2 P35228 2/20 0.55
AR P10275 10/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.40
XDH P47989 1/20 0.39
PTGS2 P35354 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
IDH1 O75874 1/20 0.38

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
SCHEMBL25762021 0.85 CYP2D6 (0.41) CYP2D6SLC6A2SLC6A4NOS2AR
SCHEMBL5656320 0.81 AR (0.50) CYP2D6SLC6A2SLC6A4NOS2AR
SCHEMBL3770255 0.78 CYP11B1 (0.43) ARXDHCYP11B1CYP11B2
SCHEMBL3578065 0.77 AR (0.52) CYP2D6SLC6A2SLC6A4NOS2AR
SCHEMBL2554271 0.76 AR (0.46) ARXDH
SCHEMBL24304581 0.75 XDH (0.46) XDH
SCHEMBL2379685 0.75 ALDH1A1 (0.56) ARIDH1
SCHEMBL2759109 0.75 AR (0.48) CYP2D6SLC6A2SLC6A4NOS2AR
SCHEMBL23927017 0.75 XDH (0.42) ARXDHCYP11B1CYP11B2
SCHEMBL23927052 0.75 XDH (0.45) ARXDH

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 CYP2D6 1882/4885SLC6A2 1332/4885SLC6A4 1353/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 CYP2D6 1882/4885SLC6A2 1332/4885SLC6A4 1353/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 CYP2D6 1882/4885SLC6A2 1332/4885SLC6A4 1353/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 CYP2D6 1882/4885SLC6A2 1332/4885SLC6A4 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.