SCHEMBL431776

SCHEMBL431776

CCOc1ccc2c(c1)OC(C(=O)O)CC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.58
PPARA Q07869 5/20 0.58
PPARD Q03181 4/20 0.58
CYP4F2 P78329 5/20 0.49
CYP4A11 Q02928 5/20 0.49
CYSLTR1 Q9Y271 2/20 0.46
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
TBXAS1 P24557 1/20 0.46
FFAR1 O14842 1/20 0.45
NQO2 P16083 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL428177 0.90 PPARA (0.48) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL7320224 0.85 PPARG (0.51) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL7320221 0.85 PPARG (0.51) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL7320228 0.85 PPARG (0.51) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL29052801 0.84 HTR6 (0.58) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL29586750 0.83 CYP4F2 (0.56) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL29587436 0.82 PPARG (0.61) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL29586759 0.81 CYP4F2 (0.56) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL29587734 0.81 CYP4F2 (0.59) PPARGPPARAPPARDCYP4F2CYP4A11
SCHEMBL2133112 0.80 PPARG (0.65) PPARGPPARAPPARDCYP4F2CYP4A11

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 PPARG 1163/4885PPARA 1546/4885PPARD 1099/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 PPARG 1080/4885PPARA 1416/4885PPARD 930/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 PPARG 1163/4885PPARA 1546/4885PPARD 1099/4885

“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.