SCHEMBL429139

SCHEMBL429139

O=C(O)NC1CNc2cc(C(F)(F)F)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.51
EPHX2 P34913 1/20 0.44
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
APOB P04114 4/20 0.37
MTTP P55157 3/20 0.36
MAPK1 P28482 1/20 0.36
PNMT P11086 3/20 0.36
PARP1 P09874 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
SMO Q99835 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35

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
SCHEMBL20790431 0.80 APOB (0.48) APOBMTTPPNMTSMO
SCHEMBL429344 0.76 EPHX2 (0.66) HDAC8EPHX2GAAMAPTMAPK1
SCHEMBL431630 0.73 ALDH1A1 (0.39) MEN1KMT2AKDM4EGAAMAPT
SCHEMBL429595 0.72 TEAD1 (0.44) MEN1KMT2AAPOBMTTPTRPV1
SCHEMBL649195 0.71 HDAC8 (0.60) HDAC8EPHX2MAPK1
SCHEMBL7239168 0.71 HDAC8 (0.52) HDAC8EPHX2MAPK1
SCHEMBL25330218 0.71 EPHX2 (0.46) HDAC8EPHX2MAPK1
SCHEMBL7555698 0.69 HDAC8 (0.46) HDAC8MEN1KMT2AKDM4EGAA
SCHEMBL7246422 0.68 HDAC8 (0.46) HDAC8EPHX2MAPK1
SCHEMBL444916 0.68 HDAC8 (1.00) HDAC8MEN1KMT2A

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-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US 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 (3 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HDAC8 2383/4885EPHX2 3104/4885MEN1 3677/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HDAC8 2393/4885EPHX2 2878/4885MEN1 3744/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 HDAC8 2383/4885EPHX2 3104/4885MEN1 3677/4885

“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.