SCHEMBL4863658

SCHEMBL4863658

FC(F)(F)c1ccc(Nc2nccc3c2CC(Cc2ccccc2)NC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
TRPV1 Q8NER1 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPIA P62937 1/20 0.36
DHODH Q02127 1/20 0.35
ABCG2 Q9UNQ0 2/20 0.35
EPHX2 P34913 5/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MAPK8 P45983 1/20 0.35
RAB9A P51151 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4872581 0.71 DHODH (0.45) FAAHTRPV1DHODHEPHX2
SCHEMBL3933677 0.70 FAAH (0.77) FAAHTRPV1
SCHEMBL3119006 0.66 MEN1 (0.50) MEN1KMT2A
SCHEMBL22542860 0.64 EPHX2 (0.54) MEN1KMT2ADHODHABCG2EPHX2
SCHEMBL2845220 0.64 MEN1 (0.44) MEN1KMT2ARAB9A
SCHEMBL3127121 0.64 MEN1 (0.50) MEN1KMT2A
SCHEMBL3124097 0.63 PNMT (0.62) MEN1KMT2A
SCHEMBL5768154 0.62 SLC6A2 (0.37) MEN1KMT2A
SCHEMBL21611891 0.62 EPHX2 (0.54) TRPV1MEN1KMT2AABCG2EPHX2
SCHEMBL8437618 0.62 MEN1 (0.48) MEN1KMT2A

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 4 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
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 FAAH 207/4885TRPV1 224/4885MEN1 3696/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 FAAH 334/4885TRPV1 1/4885MEN1 4086/4885

“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.