SCHEMBL4873223

SCHEMBL4873223

Nc1cc(N)c2c(c1)C(c1ccc(C(F)(F)F)cc1)NCC2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
GID4 Q8IVV7 2/20 0.46
HTR2C P28335 2/20 0.38
PRCP P42785 1/20 0.35
PRMT5 O14744 1/20 0.33
EGFR P00533 1/20 0.33
KIF11 P52732 1/20 0.33

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
SCHEMBL3052102 0.72 L3MBTL1 (0.55) KDM1AL3MBTL1GID4HTR2CPRCP
SCHEMBL3052295 0.71 GID4 (0.69) KDM1AL3MBTL1GID4HTR2CPRCP
SCHEMBL3057995 0.70 PRCP (0.69) KDM1AL3MBTL1GID4HTR2CPRCP
SCHEMBL3052805 0.70 PRCP (0.69) KDM1AL3MBTL1GID4HTR2CPRCP
SCHEMBL22728969 0.70 PRCP (0.69) KDM1AL3MBTL1GID4HTR2CPRCP
SCHEMBL3062224 0.69 KDM1A (0.67) KDM1AL3MBTL1PRCP
SCHEMBL3066459 0.69 KDM1A (0.67) KDM1AL3MBTL1HTR2CPRCP
SCHEMBL7885697 0.69 L3MBTL1 (1.00) KDM1AL3MBTL1GID4HTR2C
SCHEMBL3061865 0.68 L3MBTL1 (0.50) KDM1AL3MBTL1GID4HTR2CPRCP
SCHEMBL31344201 0.68 GID4 (0.66) KDM1AL3MBTL1GID4HTR2CPRCP

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 KDM1A 3632/4885L3MBTL1 1756/4885GID4 3470/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 KDM1A 4318/4885L3MBTL1 3307/4885GID4 3974/4885

“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.