SCHEMBL4333848

SCHEMBL4333848

O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.53
OPRM1 P35372 1/20 0.49
HTR2C P28335 2/20 0.44
NAMPT P43490 2/20 0.43
EPHX2 P34913 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL4338606 1.00 TRPV1 (0.53) TRPV1OPRM1HTR2CNAMPTEPHX2
SCHEMBL4333843 1.00 TRPV1 (0.53) TRPV1OPRM1HTR2CNAMPTEPHX2
SCHEMBL2734364 0.97 TRPV1 (0.51) TRPV1OPRM1HTR2CNAMPTEPHX2
SCHEMBL2734543 0.91 TRPV1 (0.49) TRPV1OPRM1EPHX2PPARA
SCHEMBL4340575 0.90 TRPV1 (0.54) TRPV1OPRM1EPHX2
SCHEMBL13613648 0.90 TRPV1 (0.52) TRPV1OPRM1NAMPT
SCHEMBL2734517 0.90 TRPV1 (0.48) TRPV1OPRM1NAMPT
SCHEMBL12460097 0.88 TRPV1 (0.42) TRPV1OPRM1HTR2CNAMPT
SCHEMBL2733683 0.88 TRPV1 (0.49) TRPV1OPRM1NAMPT
SCHEMBL4341559 0.87 TRPV1 (0.59) TRPV1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US claimed
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP claimed
US-20060258742-A1 Hydroxy tetrahydro-naphthalenylurea derivatives BAYER HEAITHCARE AG (DE) 2006-11-16 US claimed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
US-7612113-B2 Such as N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(7-hydroxy-5,6,7,8-tetrahydro-1-naphthalenyl)urea; vanilloid receptor antagonists; for treatment of urge urinary incontinence, overactive bladder, chronic pain, neuropathic pain, postoperative pain, rheumatoid arthritic pain, neuralgia, neuropathies, COPD XENTION LIMITED (GB) 2009-11-03 US disclosed
EP-1893189-A2 USE OF HYDROXY TETRAHYDRO-NAPHTHALENE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES Bayer HealthCare AG (DE) 2008-03-05 EP disclosed
EP-1506167-B1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-29 EP disclosed
US-20060258742-A1 Hydroxy tetrahydro-naphthalenylurea derivatives BAYER HEAITHCARE AG (DE) 2006-11-16 US disclosed
WO-2006094627-A2 USE OF HYDROXY TETRAHYDRO-NAPHTALENE DERIVATES FOR THE TREATMENT OF RESPIRATORY DISEASES BAYER HEALTHCARE AG (DE) 2006-09-14 WO disclosed
EP-1506167-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2005-02-16 EP disclosed
WO-2005002551-A2 VANILLOID RECEPTOR (VR) 1 INHIBITORS FOR TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS (HIV)-MEDIATED PAIN STATES BAYER HEALTHCARE AG (DE) 2005-01-13 WO disclosed
EP-1493438-A1 Vanilloid receptor (VR) inhibitors for treatment of Human Immunodeficiency Virus (HIV)-mediated pain states Bayer HealthCare AG (DE) 2005-01-05 EP disclosed
WO-2003095420-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-20 WO 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 (1 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-20060258742-A1 Hydroxy tetrahydro-naphthalenylurea derivatives NMUR1, HVCN1, GPR17 TRPV1 18/4885OPRM1 168/4885HTR2C 491/4885

“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.