SCHEMBL430874

SCHEMBL430874

COC(=O)c1cc(Cl)c2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
MAPT P10636 1/20 0.45
C1R P00736 1/20 0.43
AGPAT2 O15120 2/20 0.43
PTGES O14684 1/20 0.42
NQO2 P16083 4/20 0.42
NOTUM Q6P988 2/20 0.42
MRGPRX4 Q96LA9 3/20 0.41
PDE6D O43924 1/20 0.41
PDE5A O76074 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE6H Q13956 1/20 0.41
DYRK1A Q13627 1/20 0.40
MCL1 Q07820 1/20 0.39
PARP1 P09874 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL4482350 0.86 PDE5A (0.47) MAPTMRGPRX4PDE6DPDE5APDE6A
SCHEMBL2910799 0.85 CFTR (0.49) CFTRMAPTDYRK1APARP1
SCHEMBL5638035 0.82 EGFR (0.47) NQO2MRGPRX4EGFR
SCHEMBL16168919 0.81 GRM2 (0.49) MAPTNQO2
SCHEMBL16759798 0.80 CFTR (0.47) CFTRMAPTPTGESDYRK1APARP1
SCHEMBL13919591 0.80 CDK2 (0.49) MAPTNOTUM
SCHEMBL31405129 0.79 SDHB (0.51) C1RAGPAT2MRGPRX4PDE5A
SCHEMBL26998967 0.79 SDHB (0.51) C1RAGPAT2MRGPRX4PDE5A
SCHEMBL3281879 0.77 KDM4E (0.60) MAPTNQO2
SCHEMBL19579754 0.77 CFTR (0.49) CFTRMAPTDYRK1A

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 CFTR 1391/4885MAPT 2392/4885C1R 317/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 CFTR 1341/4885MAPT 2573/4885C1R 337/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 CFTR 1391/4885MAPT 2392/4885C1R 317/4885

“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.