SCHEMBL3201877

SCHEMBL3201877

Cc1nccc2c(NC(=O)Oc3ccccc3)cccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
KMT2A Q03164 4/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PORCN Q9H237 1/20 0.44
KIT P10721 1/20 0.44
PDGFRA P16234 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
IDO1 P14902 1/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL8154848 0.84 TRPV1 (0.66) TRPV1KMT2ANPC1RAB9ANPSR1
SCHEMBL1735617 0.84 TRPV1 (0.51) TRPV1KMT2ANPC1RAB9ANPSR1
SCHEMBL4028215 0.83 MEN1 (0.46) TRPV1KMT2APDGFRAALDH1A1HPGD
SCHEMBL2359677 0.80 KDM4E (0.56) TRPV1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29773631 0.80 METAP1 (0.46) TRPV1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4022010 0.79 KMT2A (0.60) TRPV1KMT2AALDH1A1HPGDMAPT
SCHEMBL3144214 0.78 MEN1 (0.61) TRPV1KMT2ARAB9AALDH1A1MAPT
SCHEMBL14657342 0.78 PTPN1 (0.57) TRPV1KMT2AKITPDGFRAALDH1A1
SCHEMBL1312094 0.77 TRPV1 (0.74) TRPV1KMT2ANPC1RAB9ANPSR1
SCHEMBL11076373 0.77 KMT2A (0.58) TRPV1KMT2ANPC1RAB9ANPSR1

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 18 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
US-8569505-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
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
US-20100125140-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2010-05-20 US disclosed
US-20100125140-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2010-05-20 US 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-7678812-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 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-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-04-24 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
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

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 TRPV1 2/4885KMT2A 4174/4885NPC1 3257/4885
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR UTS2R, TRPV1, GPR17 TRPV1 2/4885KMT2A 4174/4885NPC1 3257/4885
US-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction TMEM109, UTS2R, GPR17 TRPV1 10/4885KMT2A 4468/4885NPC1 3590/4885
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor UTS2R, TRPV6, TRPV1 TRPV1 3/4885KMT2A 4051/4885NPC1 3141/4885

“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.