SCHEMBL2733690

SCHEMBL2733690

O=C(NCc1cccc(-c2ccc(F)c(Cl)c2)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 17/20 0.52
OPRM1 P35372 1/20 0.47
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2733676 0.94 TRPV1 (0.52) TRPV1OPRM1MEN1RAB9AKMT2A
SCHEMBL2734373 0.92 TRPV1 (0.48) TRPV1OPRM1EPHX2
SCHEMBL2734540 0.89 TRPV1 (0.53) TRPV1OPRM1MEN1RAB9AKMT2A
SCHEMBL2734552 0.87 TRPV1 (0.49) TRPV1OPRM1
SCHEMBL13613635 0.86 TRPV1 (0.54) TRPV1OPRM1EPHX2
SCHEMBL206356 0.86 TRPV1 (0.47) TRPV1OPRM1MEN1KMT2A
SCHEMBL2734515 0.86 TRPV1 (0.50) TRPV1OPRM1EPHX2RAB9A
SCHEMBL2734512 0.86 TRPV1 (0.48) TRPV1OPRM1
SCHEMBL13613631 0.86 TRPV1 (0.52) TRPV1OPRM1
SCHEMBL207820 0.85 TRPV1 (0.50) TRPV1OPRM1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173841-B2 Tetrahydro-naphthalene derivatives XENTION LIMITED (GB) 2012-05-08 US disclosed
US-8173841-B2 Tetrahydro-naphthalene derivatives XENTION LIMITED (GB) 2012-05-08 US disclosed
US-8088826-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl-groups; vanilloid receptor antagonists; analgesics antiinflammatory agent; urogenital disorders XENTION LIMITED (GB) 2012-01-03 US disclosed
US-8088826-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl-groups; vanilloid receptor antagonists; analgesics antiinflammatory agent; urogenital disorders XENTION LIMITED (GB) 2012-01-03 US disclosed
US-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2011-07-21 US disclosed
US-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2011-07-21 US disclosed
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2008-11-06 US disclosed
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2008-11-06 US disclosed
US-7381840-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl- group; vanilloid receptor antagonists XENTION LIMITED (GB) 2008-06-03 US disclosed
US-7381840-B2 2-Hydroxy-1,2,3,4-tetrahydronaphthalenes substituted in the 8-position with a biphenylcarbonylamino-, biphenylcarbonylaminoalkyl-, biphenylaminocarbonylamino-, or biphenylaminocarbonylaminoalkyl- group; vanilloid receptor antagonists XENTION LIMITED (GB) 2008-06-03 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 (2 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-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES OPRL1, OPRK1, VAT1 TRPV1 5/4885OPRM1 124/4885EPHX2 3426/4885
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES TNNC1, CACNA1H, TNNI3 TRPV1 13/4885OPRM1 225/4885EPHX2 3167/4885

“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.