SCHEMBL4871319

SCHEMBL4871319

Fc1ccc(Nc2ncnc3c2CCN(Cc2ccccc2)C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.55
FAAH O00519 3/20 0.52
HTR2C P28335 2/20 0.45
HTR2A P28223 1/20 0.45
BRS3 P32247 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
CLPP Q16740 1/20 0.44

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
SCHEMBL4864601 0.92 MKNK1 (0.57) MKNK1FAAHBRS3
SCHEMBL2848557 0.91 MKNK1 (0.52) MKNK1FAAHHTR2CHTR2ABRS3
SCHEMBL4868405 0.88 TRPV1 (0.59) MKNK1FAAHTRPV1
SCHEMBL4866606 0.86 TRPV1 (0.55) MKNK1FAAHTRPV1
SCHEMBL4872328 0.86 MKNK1 (0.50) MKNK1FAAHBRS3TRPV1
SCHEMBL4872158 0.86 FAAH (0.73) MKNK1FAAHTRPV1
SCHEMBL6001408 0.85 MKNK1 (0.52) MKNK1FAAHBRS3TRPV1
SCHEMBL4870103 0.84 FAAH (0.53) MKNK1FAAHTRPV1
SCHEMBL2845073 0.82 MKNK1 (0.54) MKNK1FAAHBRS3CLPP
SCHEMBL4872597 0.82 FAAH (0.72) MKNK1FAAH

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 6 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-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP 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 (1 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 MKNK1 1430/4885FAAH 207/4885HTR2C 520/4885

“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.