SCHEMBL207603

SCHEMBL207603

CCOc1ccc2cccc(N)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
TP53 P04637 2/20 0.53
MTNR1A P48039 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
TYMS P04818 1/20 0.48
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TERT O14746 1/20 0.46
ABCB11 O95342 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
KLK1 P06870 1/20 0.45

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
SCHEMBL1804001 0.87 TSHR (0.51) MTNR1ATSHRALDH1A1HSD17B10
SCHEMBL1807134 0.86 CYP3A4 (0.53) CYP3A4TP53MTNR1AMEN1KMT2A
SCHEMBL19583392 0.81 NQO1 (0.59) CYP3A4TP53MTNR1AMEN1KMT2A
SCHEMBL3819696 0.81 MTNR1A (0.51) CYP3A4TP53MTNR1ATYMSLMNA
SCHEMBL10362138 0.81 CYP1A2 (0.53) CYP3A4TP53MTNR1AMEN1KMT2A
SCHEMBL29792825 0.80 CYP1A2 (0.55) CYP3A4MTNR1AMEN1KMT2ATSHR
SCHEMBL19583380 0.80 KMT2A (0.50) CYP3A4TP53MTNR1AMEN1KMT2A
SCHEMBL249717 0.80 CYP1A2 (0.55) CYP3A4MTNR1AMEN1KMT2ATSHR
SCHEMBL4314266 0.80 F2 (0.46) CYP3A4MTNR1AMEN1KMT2ATSHR
SCHEMBL15345475 0.80 MTNR1A (0.58) CYP3A4TP53MTNR1A

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
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-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-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
EP-1885704-B1 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2011-09-28 EP 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
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 WO disclosed
WO-2005040119-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 WO disclosed
EP-1506167-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES Bayer HealthCare AG (DE) 2005-02-16 EP disclosed
US-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US disclosed
WO-2004072020-A1 HYDROXY-TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-08-26 WO disclosed
WO-2004052845-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS VANILLOID RECEPTOR ANTAGONISTS BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed
WO-2004052846-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-06-24 WO disclosed
EP-1414788-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003095420-A1 HYDROXY TETRAHYDRO-NAPHTHALENYLUREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-20 WO disclosed
WO-2003014064-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-02-20 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 (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 CYP3A4 2474/4885TP53 1908/4885MTNR1A 227/4885
US-20040259875-A1 Amine derivatives AVPR1A, GRIN1, OPRL1 CYP3A4 4160/4885TP53 2716/4885MTNR1A 38/4885

“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.