SCHEMBL2734528

SCHEMBL2734528

O=C(Nc1cccc(-c2cccc([N+](=O)[O-])c2)c1)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.55
CNR1 P21554 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
DDX3X O00571 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
BAZ1A Q9NRL2 2/20 0.46
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL14188252 0.91 TRPV1 (0.56) TRPV1CNR1DDX3X
SCHEMBL2734771 0.86 TRPV1 (0.45) TRPV1MEN1KMT2AGAA
SCHEMBL2734537 0.84 GAA (0.46) TRPV1MEN1KMT2AMAPTGAA
SCHEMBL2734049 0.84 TRPV1 (0.60) TRPV1CNR1
SCHEMBL2734509 0.84 TRPV1 (0.64) TRPV1CNR1MEN1KMT2AMAPT
SCHEMBL2733668 0.83 TRPV1 (0.61) TRPV1CNR1
SCHEMBL2734357 0.83 TRPV1 (0.63) TRPV1CNR1
SCHEMBL206358 0.83 TRPV1 (0.58) TRPV1CNR1
SCHEMBL5123741 0.83 TRPV1 (0.58) TRPV1CNR1
SCHEMBL2734355 0.83 TRPV1 (0.61) TRPV1CNR1

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 5 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-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-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

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 5/4885CNR1 28/4885MEN1 3717/4885
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES TNNC1, CACNA1H, TNNI3 TRPV1 13/4885CNR1 57/4885MEN1 3823/4885

“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.