SCHEMBL431819

SCHEMBL431819

O=C(O)NC1Cc2ccc(C(F)(F)F)cc2N(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.61
MTNR1A P48039 2/20 0.55
MTNR1B P49286 2/20 0.55
SIGMAR1 Q99720 4/20 0.45
SIRT2 Q8IXJ6 2/20 0.44
SIRT1 Q96EB6 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
S1PR5 Q9H228 2/20 0.43
S1PR1 P21453 1/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CCR2 P41597 1/20 0.41
SRPK1 Q96SB4 2/20 0.41

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
SCHEMBL429947 0.84 S1PR5 (0.51) TEAD1MTNR1AMTNR1BSIRT2SIRT1
SCHEMBL429257 0.82 MTNR1A (0.77) TEAD1MTNR1AMTNR1BSIRT1MEN1
SCHEMBL652500 0.82 TEAD1 (0.48) TEAD1MTNR1AMTNR1BALDH1A1
SCHEMBL651309 0.80 TEAD1 (0.55) TEAD1MTNR1AMTNR1BSIGMAR1MEN1
SCHEMBL429595 0.79 TEAD1 (0.44) TEAD1MEN1KMT2ASRPK1
SCHEMBL430344 0.79 SIRT2 (0.44) TEAD1MTNR1AMTNR1BSIRT2SIRT1
SCHEMBL429580 0.79 TRPV1 (0.55) TEAD1MTNR1AMTNR1BUBE2MDCUN1D1
SCHEMBL431767 0.79 ALDH1A1 (0.45) TEAD1MTNR1AMTNR1BSIRT2SIRT1
SCHEMBL651178 0.77 MTNR1A (0.60) TEAD1MTNR1AMTNR1BSIGMAR1MEN1
SCHEMBL651279 0.76 S1PR5 (0.50) TEAD1MTNR1AMTNR1BSIRT2SIRT1

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 TEAD1 1626/4885MTNR1A 59/4885MTNR1B 98/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TEAD1 1819/4885MTNR1A 48/4885MTNR1B 92/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 TEAD1 1626/4885MTNR1A 59/4885MTNR1B 98/4885

“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.