SCHEMBL4339142

SCHEMBL4339142

COc1cc(OC)c(CNC(=O)Nc2cccc3c2CC(O)CC3)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.48
PTPN1 P18031 1/20 0.48
OPRM1 P35372 1/20 0.45
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 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
SCHEMBL13613640 0.89 TRPV1 (0.49) TRPV1OPRM1KMT2ACYP1A2CYP3A4
SCHEMBL13613633 0.85 ALDH1A1 (0.50) TRPV1OPRM1KMT2AALDH1A1LMNA
SCHEMBL13613614 0.85 KDM4E (0.56) TRPV1OPRM1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13613647 0.84 GAA (0.56) TRPV1OPRM1KMT2ACYP1A2CYP3A4
SCHEMBL13613632 0.84 LMNA (0.54) TRPV1OPRM1KMT2AALDH1A1LMNA
SCHEMBL2733678 0.83 GAA (0.48) TRPV1OPRM1KMT2ACYP1A2CYP3A4
SCHEMBL2734521 0.83 GAA (0.48) TRPV1OPRM1KMT2ACYP1A2CYP3A4
SCHEMBL2734754 0.82 KDM4E (0.53) TRPV1OPRM1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2734372 0.82 F3 (0.45) TRPV1OPRM1KMT2ACYP1A2CYP3A4
SCHEMBL2734530 0.82 L3MBTL1 (0.48) TRPV1OPRM1KMT2ACYP1A2CYP3A4

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-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
EP-1506167-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2005-02-16 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 18/4885PTPN1 1313/4885OPRM1 168/4885

“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.