SCHEMBL1734101

SCHEMBL1734101

COCOc1ccc(C#N)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.54
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
ICMT O60725 2/20 0.45
SLC6A4 P31645 1/20 0.45
XDH P47989 1/20 0.43
FDPS P14324 1/20 0.42
TRPV4 Q9HBA0 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
EGLN2 Q96KS0 1/20 0.40
KDM1A O60341 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1B Q00975 1/20 0.40

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
SCHEMBL15170403 0.93 AR (0.45) ARUSP2MAPTICMTSLC6A4
SCHEMBL5648357 0.85 ICMT (0.53) ARUSP2MAPTICMTSLC6A4
SCHEMBL6944897 0.84 TRPV4 (0.56) ARUSP2MAPTICMTSLC6A4
SCHEMBL14472635 0.84 AR (0.50) ARMAPTICMTXDHTRPV4
SCHEMBL4261037 0.84 FDPS (0.55) MAPTFDPSLMNAALDH1A1
SCHEMBL4261032 0.84 FDPS (0.55) MAPTFDPSLMNAALDH1A1
SCHEMBL29490258 0.83 AR (0.66) ARUSP2MAPTICMTSLC6A4
SCHEMBL509522 0.83 AR (0.66) ARUSP2MAPTICMTSLC6A4
SCHEMBL31151408 0.83 MRGPRX4 (0.49) ARICMTSLC6A4XDHTRPV4
SCHEMBL5531819 0.83 AR (0.54) ARUSP2MAPTICMTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569505-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
EP-1506166-B1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP disclosed
WO-2011131712-A1 METAL HYBRID COMPOSITE CASTING Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2011-10-27 WO disclosed
US-20100125140-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2010-05-20 US disclosed
US-7678812-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-04-24 US disclosed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 US disclosed
EP-1154989-B1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORP (KR) 2005-12-14 EP disclosed
US-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 US disclosed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US disclosed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
US-6476076-B1 Vanilloid analogues containing resinferatoxin pharmacophores as potent vanilloid receptor agonists and analgesics, compositions and uses thereof PACIFIC CORPORATION (KR) 2002-11-05 US disclosed
EP-1154989-A1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORPORATION (KR) 2001-11-21 EP disclosed
WO-2000050387-A1 VANILLOID ANALOGUES CONTAINING RESINIFERATOXIN PHARMACOPHORES AS POTENT VANILLOID RECEPTOR AGONISTS AND ANALGESICS, COMPOSITIONS AND USES THEREOF PACIFIC CORPORATION (KR) 2000-08-31 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 (4 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-20100125140-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR UTS2R, TRPV1, GPR17 AR 2037/4885USP2 1187/4885MAPT 1727/4885
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR UTS2R, TRPV1, GPR17 AR 2037/4885USP2 1187/4885MAPT 1727/4885
US-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction TMEM109, UTS2R, GPR17 AR 3162/4885USP2 543/4885MAPT 3422/4885
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor UTS2R, TRPV6, TRPV1 AR 1927/4885USP2 1321/4885MAPT 1819/4885

“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.