SCHEMBL429658

SCHEMBL429658

COC(=O)c1cc(=O)c2c(C(F)(F)F)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
ABL1 P00519 2/20 0.43
SRC P12931 2/20 0.43
KDM4E B2RXH2 1/20 0.43
XDH P47989 2/20 0.42
CYP1A2 P05177 1/20 0.40
NOTUM Q6P988 1/20 0.39
PLA2G7 Q13093 1/20 0.38
GUSB P08236 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MCL1 Q07820 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
SCHEMBL9452204 0.83 HPGD (0.53) GLAGAAKDM4ECYP1A2MAPT
SCHEMBL30396884 0.82 ABL1 (0.46) GLAGAAABL1SRCKDM4E
SCHEMBL24190146 0.82 ABL1 (0.46) GLAGAAABL1SRCKDM4E
SCHEMBL20886856 0.81 GLA (0.50) GLAGAAABL1SRCKDM4E
SCHEMBL20877061 0.80 GLA (0.49) GLAGAAABL1SRCKDM4E
SCHEMBL9452388 0.78 GLA (0.48) GLAGAAKDM4EXDHCYP1A2
SCHEMBL28783998 0.76 KDM4E (0.36) KDM4EMCL1
SCHEMBL19032114 0.76 MAPT (0.49) GLAGAAKDM4ECYP1A2TP53
SCHEMBL27374214 0.76 KDM4E (0.43) GAAKDM4ENOTUMMAPTMCL1
SCHEMBL9499289 0.75 KDM4E (0.37) KDM4EMCL1

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 GLA 2487/4885GAA 4072/4885ABL1 4453/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 GLA 2783/4885GAA 4177/4885ABL1 4485/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 GLA 2487/4885GAA 4072/4885ABL1 4453/4885

“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.