SCHEMBL631816

SCHEMBL631816

c1nc(CNc2ccc(C3CC3)cc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
KCNH2 Q12809 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
HDAC3 O15379 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPT P10636 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
CXCR4 P61073 1/20 0.30

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
SCHEMBL631848 0.83 PRKCI (0.41) MAOAMAOBALOX12
SCHEMBL632601 0.78 LMNA (0.44) MAOAMAOBALOX12MAPT
SCHEMBL632032 0.78 MAPT (0.44) MAOAMAOBMAPT
SCHEMBL631554 0.77 MAOA (0.55) MAOAMAOBMAPT
Hydrochloric Acid SCHEMBL631888 0.76 MAOA (0.53) MAOAMAOBMAPT
SCHEMBL631856 0.75 MAOA (0.49) MAOAMAOBALOX12MAPT
SCHEMBL631815 0.74 MAPT (0.49) MAPT
SCHEMBL633499 0.71 MAPT (0.46) MAPT
SCHEMBL632321 0.71 NPC1 (0.43) MAOAMAOBMAPT
SCHEMBL631355 0.71 MAPT (0.44) MAPT

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-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R HRH3 728/4885SCN5A 797/4885SCN9A 1259/4885

“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.