SCHEMBL671245

SCHEMBL671245

NCc1cc(C2CC2)nn1-c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 6/20 0.48
KCNJ3 P48549 6/20 0.48
KCNJ5 P48544 4/20 0.48
TRPV1 Q8NER1 3/20 0.46
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
SRC P12931 1/20 0.40
GAA P10253 3/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
Hydrochloric Acid SCHEMBL658375 0.99 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5TRPV1NPC1
SCHEMBL10186996 0.84 TRPV1 (0.52) KCNJ6KCNJ3KCNJ5TRPV1LMNA
SCHEMBL13194433 0.84 KCNJ6 (0.46) KCNJ6KCNJ3KCNJ5TRPV1NPC1
SCHEMBL10093709 0.83 TRPV1 (0.52) KCNJ6KCNJ3KCNJ5TRPV1NPC1
SCHEMBL12506454 0.80 TRPV1 (0.57) KCNJ6KCNJ3KCNJ5TRPV1
SCHEMBL4069114 0.77 KCNJ6 (0.53) KCNJ6KCNJ3KCNJ5TRPV1NPC1
SCHEMBL13172116 0.77 GAA (0.53) NPC1RAB9ALMNASMN1; SMN2PKM
SCHEMBL4069116 0.76 MEN1 (0.57) KCNJ6KCNJ3KCNJ5PKMGAA
SCHEMBL28811223 0.76 KCNJ6 (0.60) KCNJ6KCNJ3KCNJ5TRPV1NPC1
SCHEMBL25510548 0.76 KCNJ6 (0.51) KCNJ6KCNJ3KCNJ5TRPV1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427435-B1 SUBSTITUTED PHENYLUREAS AND PHENYLAMIDES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2017-06-14 EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-8946204-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2015-02-03 US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
WO-2012022487-A1 SUBSTITUTED CYCLIC CARBOXAMIDE AND UREA DERIVATIVES AS LIGANDS OF THE VANILLOID RECEPTOR Grünenthal GmbH (DE) 2012-02-23 WO disclosed
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor GRUENENTHAL GMBH (DE) 2012-02-23 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2010-12-30 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 KCNJ6 447/4885KCNJ3 476/4885KCNJ5 344/4885
US-20100331381-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV2 KCNJ6 148/4885KCNJ3 190/4885KCNJ5 106/4885
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 KCNJ6 146/4885KCNJ3 184/4885KCNJ5 127/4885
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 KCNJ6 693/4885KCNJ3 732/4885KCNJ5 651/4885
US-20120046301-A1 Substituted Cyclic Carboxamide and Urea Derivatives as Ligands of the Vanilloid Receptor TRPV1, CNR1, CNR2 KCNJ6 882/4885KCNJ3 902/4885KCNJ5 853/4885

“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.