SCHEMBL4871345

SCHEMBL4871345

c1ccc2ncc(Nc3ncnc4c3CCNC4)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
FAAH O00519 9/20 0.43
TNF P01375 1/20 0.43
TRPV1 Q8NER1 3/20 0.40
IGF1R P08069 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
ULK1 O75385 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
KDR P35968 1/20 0.36
HTR2C P28335 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
SCHEMBL2457512 0.89 GRM4 (0.46) GRM4FAAHTNFTRPV1IGF1R
Hydrochloric Acid SCHEMBL2458164 0.88 GRM4 (0.46) GRM4FAAHTNFTRPV1IGF1R
SCHEMBL3932067 0.81 FAAH (0.58) GRM4FAAHTNFIGF1RNPSR1
SCHEMBL4868221 0.81 HTR2A (0.48) TRPV1HTR2C
SCHEMBL5793884 0.77 GRM4 (0.39) GRM4FAAHTNFNPSR1ULK1
SCHEMBL4871886 0.76 HTR2A (0.47) TRPV1KDRHTR2C
SCHEMBL7903064 0.76 FAAH (0.48) GRM4FAAHTNFTRPV1IGF1R
SCHEMBL1921986 0.74 MAPK1 (0.36) TRPV1PARP10PARP11KDRHTR2C
SCHEMBL2461380 0.74 FAAH (0.47) GRM4FAAHTNFTRPV1IGF1R
SCHEMBL4872597 0.73 FAAH (0.72) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof EVOTEC AG (DE) 2005-12-15 US disclosed
US-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction EVOTEC AG (DE) 2005-09-29 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 (2 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-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction PARK7, PTGIS, PTGES GRM4 1435/4885FAAH 207/4885TNF 545/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 GRM4 195/4885FAAH 334/4885TNF 1960/4885

“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.