SCHEMBL3693704

SCHEMBL3693704

Nc1cc(F)c(N2C3CCCC2CC3)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.34
ABCB1 P08183 1/20 0.30

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
SCHEMBL18396793 0.81 MTOR (0.36)
SCHEMBL18397557 0.81
SCHEMBL239380 0.81 ALDH1A1 (0.41)
SCHEMBL241016 0.81 ALDH1A1 (0.41)
SCHEMBL5024766 0.80 TRPV1 (0.39) TRPV1
SCHEMBL4874601 0.78 TRPV1 (0.38) TRPV1
SCHEMBL5016018 0.77 HTR7 (0.38) TRPV1
SCHEMBL3695957 0.77 ALDH1A1 (0.44) TRPV1ABCB1
SCHEMBL30722006 0.76 KDM1A (0.41)
SCHEMBL26984852 0.76 KDM1A (0.41)

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007523865-A 2007-08-23 JP claimed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US claimed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP claimed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US claimed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO claimed
US-20200148651-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2020-05-14 US disclosed
US-10550092-B2 Substituted phenyloxazolidinones for antimicrobial therapy THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2020-02-04 US disclosed
US-20180179168-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2018-06-28 US disclosed
EP-1836200-B1 BENZISOTHIAZOLE-1, 1-DIOXIDE ACTING AS ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2012-05-16 EP disclosed
US-7615570-B2 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES (US) 2009-11-10 US disclosed
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
US-20060148867-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 US disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 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 (7 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-20060148867-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof AVPR1A, AVPR1B, AVPR2 TRPV1 4/4885ABCB1 764/4885
US-20180179168-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THPO, TBCD, OXA1L TRPV1 2843/4885ABCB1 673/4885
US-20200148651-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THPO, TBCD, OXA1L TRPV1 2843/4885ABCB1 673/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 TRPV1 1/4885ABCB1 473/4885
US-10550092-B2 Substituted phenyloxazolidinones for antimicrobial therapy THPO, TBCD, OXA1L TRPV1 2843/4885ABCB1 673/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G TRPV1 8/4885ABCB1 1442/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 TRPV1 10/4885ABCB1 1038/4885

“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.