SCHEMBL4867757

SCHEMBL4867757

Nc1cc2c(c(Nc3ccc(C(F)(F)F)cc3)c1)CCN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.49
ADORA1 P30542 1/20 0.45
CLPP Q16740 4/20 0.44
GPR132 Q9UNW8 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
BRS3 P32247 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MKNK1 Q9BUB5 2/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
BACE1 P56817 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
SCHEMBL3933677 0.78 FAAH (0.77) FAAHCLPPHIF1AEPAS1TRPV1
SCHEMBL14086113 0.77 TRPV1 (0.55) FAAHCLPPHIF1AEPAS1BRS3
SCHEMBL4868405 0.74 TRPV1 (0.59) FAAHTRPV1MKNK1
SCHEMBL4864788 0.74 PNMT (0.57) ADORA1SIGMAR1KDM4EMEN1ALDH1A1
SCHEMBL2849767 0.72 TRPV1 (0.59) FAAHCLPPTRPV1MKNK1
SCHEMBL4871471 0.71 TRPV1 (0.59) FAAHCLPPBRS3TRPV1
SCHEMBL4861662 0.71 TRPV1 (0.56) FAAHCLPPBRS3TRPV1
SCHEMBL5797677 0.70 KDM4E (0.41) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL4157838 0.70 MEN1 (0.58) ACHEKDM4EMEN1ALDH1A1KMT2A
Bromide SCHEMBL7981194 0.68 KDM4E (0.47) FAAHCLPPGPR132HIF1AEPAS1

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 7 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
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP 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
WO-2005066171-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-07-21 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 (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 FAAH 207/4885ADORA1 765/4885CLPP 2723/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 FAAH 334/4885ADORA1 301/4885CLPP 4506/4885

“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.