SCHEMBL4333852

SCHEMBL4333852

O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.71
GRIK1 P39086 5/20 0.57
KDR P35968 1/20 0.55
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
EPHX2 P34913 1/20 0.51
OPRM1 P35372 1/20 0.50

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
SCHEMBL2734361 0.94 TRPV1 (0.67) TRPV1GRIK1KDRMEN1MAPT
SCHEMBL4332079 0.89 TRPV1 (0.71) TRPV1MEN1MAPTHTTRAB9A
SCHEMBL208537 0.89 TRPV1 (0.66) TRPV1OPRM1
SCHEMBL13613692 0.85 TRPV1 (0.66) TRPV1MEN1MAPTRAB9AKMT2A
SCHEMBL13613702 0.85 TRPV1 (0.61) TRPV1MEN1KMT2AEPHX2OPRM1
SCHEMBL13613701 0.84 TRPV1 (0.65) TRPV1KDREPHX2
SCHEMBL4336612 0.84 TRPV1 (0.64) TRPV1
SCHEMBL4332089 0.83 TRPV1 (1.00) TRPV1KDR
SCHEMBL4343306 0.83 TRPV1 (1.00) TRPV1KDR
SCHEMBL4335739 0.83 TRPV1 (1.00) TRPV1KDR

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 12 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-1893189-A2 USE OF HYDROXY TETRAHYDRO-NAPHTHALENE DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES Bayer HealthCare AG (DE) 2008-03-05 EP 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
WO-2006094627-A2 USE OF HYDROXY TETRAHYDRO-NAPHTALENE DERIVATES FOR THE TREATMENT OF RESPIRATORY DISEASES BAYER HEALTHCARE AG (DE) 2006-09-14 WO 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

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 18/4885GRIK1 176/4885KDR 1665/4885

“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.