SCHEMBL13027673

SCHEMBL13027673

COc1cc(N)cnc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.43
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAP2K7 O14733 1/20 0.41
SPIN1 Q9Y657 2/20 0.41
LRRK2 Q5S007 1/20 0.39
KDM4E B2RXH2 1/20 0.38
STAT6 P42226 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ENPP1 P22413 1/20 0.38
GCK P35557 1/20 0.38
GAK O14976 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
CASP6 P55212 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL20918773 0.87 ACHE (0.50) SMN1; SMN2
SCHEMBL15652664 0.86 PDE10A (0.51) SMN1; SMN2MAP2K7LRRK2KDM4EGAK
SCHEMBL23625655 0.83 WHR1 (0.44) OPRK1ENPP1GCKGAK
SCHEMBL31378649 0.81 OPRK1 (0.42) OPRK1ENPP1
SCHEMBL30336341 0.80 OPRK1 (0.41) OPRK1SMN1; SMN2ENPP1GCKMAPT
SCHEMBL29209091 0.80 OPRK1 (0.41) OPRK1SMN1; SMN2ENPP1GCKMAPT
SCHEMBL23623106 0.80 ENPP1 (0.40) OPRK1ENPP1GCKGAK
SCHEMBL31378923 0.79 JAK2 (0.43) OPRK1ALDH1A1SMN1; SMN2KDM4EGCK
SCHEMBL31378673 0.79 MAP3K12 (0.41) OPRK1LRRK2GCK
SCHEMBL15243985 0.78 FGFR3 (0.52) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736900-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-06-04 EP disclosed
US-8586573-B2 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI (FR) 2013-11-19 US disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 US disclosed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 WO disclosed
US-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-11-11 US disclosed
US-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-11-11 US disclosed
US-7786104-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-31 US disclosed
US-7786104-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-31 US disclosed
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-06-18 US disclosed
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-06-18 US 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 (3 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-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 NOS1 597/4885OPRK1 120/4885ALDH1A1 870/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 NOS1 597/4885OPRK1 120/4885ALDH1A1 870/4885
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 NOS1 3449/4885OPRK1 7/4885ALDH1A1 3441/4885

“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.