SCHEMBL206372

SCHEMBL206372

CC(C)(C)N(C(=O)O)c1cccc2ccc(O)cc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.58
PTPN1 P18031 6/20 0.54
TRPV1 Q8NER1 9/20 0.43
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL117125 0.88 MCL1 (0.43) MCL1PTPN1TRPV1
SCHEMBL3440742 0.80 MCL1 (0.68) MCL1PTPN1TRPV1MTNR1AMTNR1B
SCHEMBL207071 0.79 MTNR1A (0.48) MTNR1AMTNR1BKDM4EMEN1RAB9A
SCHEMBL25969106 0.75 MCL1 (0.65) MCL1PTPN1TRPV1MTNR1AMTNR1B
SCHEMBL29349880 0.74 MCL1 (1.00) MCL1PTPN1TRPV1MTNR1AMTNR1B
SCHEMBL7414597 0.73 LMNA (0.39) PTPN1MEN1MAPTRAB9AKMT2A
SCHEMBL7159280 0.73 MCL1 (0.61) MCL1PTPN1TRPV1MTNR1AMTNR1B
SCHEMBL6581360 0.72 MCL1 (0.60) MCL1PTPN1TRPV1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7637046 0.72 MCL1 (0.59) MCL1PTPN1TRPV1MTNR1AMTNR1B
SCHEMBL22804491 0.72 NCEH1 (0.44) KDM4EMAPTRAB9A

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 16 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
EP-2048132-B1 Tetrahydro-naphthalene and urea derivatives XENTION LTD (GB) 2011-04-13 EP disclosed
US-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists TAJIMI MASAOMI 2009-08-20 US disclosed
US-7544716-B2 Tetrahydro-naphthalene derivatives as vanilloid receptor antagonists XENTION LIMITED (GB) 2009-06-09 US disclosed
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES XENTION LIMITED (GB) 2008-11-06 US disclosed
EP-1572632-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS VANILLOID RECEPTOR ANTAGONISTS XENTION LTD (GB) 2008-08-13 EP 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
EP-1569896-B1 TETRAHYDRO-NAPHTHALENE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-08-15 EP disclosed
US-20060135505-A1 Tetrahydro-naphthalene derivatives as vanilloid receptor antagonists BAYER HEALTHCARE AG (DE) 2006-06-22 US disclosed
US-20060128704-A1 Tetrahydro-naphthalene derivatives BAYER HEALTHCARE AG (DE) 2006-06-15 US disclosed
EP-1572632-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES AS VANILLOID RECEPTOR ANTAGONISTS Bayer HealthCare AG (DE) 2005-09-14 EP disclosed
EP-1569896-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES Bayer HealthCare AG (DE) 2005-09-07 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20060135505-A1 Tetrahydro-naphthalene derivatives as vanilloid receptor antagonists OPRL1, PTGER1, LTB4R2 MCL1 3193/4885PTPN1 1229/4885TRPV1 8/4885
US-20110178088-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES OPRL1, OPRK1, VAT1 MCL1 4125/4885PTPN1 1437/4885TRPV1 5/4885
US-20060128704-A1 Tetrahydro-naphthalene derivatives HVCN1, HRH1, OPRL1 MCL1 2758/4885PTPN1 1165/4885TRPV1 12/4885
US-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists OPRL1, TRPV1, LTB4R MCL1 3360/4885PTPN1 1341/4885TRPV1 2/4885
US-20080275047-A1 TETRAHYDRO-NAPHTHALENE DERIVATIVES TNNC1, CACNA1H, TNNI3 MCL1 3458/4885PTPN1 960/4885TRPV1 13/4885

“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.