SCHEMBL632763

SCHEMBL632763

CCN(Cc1c[nH]cn1)c1ccncn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
GBA1 P04062 1/20 0.34
SLC6A2 P23975 1/20 0.32
TAAR1 Q96RJ0 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
KMT2A Q03164 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
SCHEMBL632281 0.79 TAAR1 (0.32) GBA1TAAR1
SCHEMBL7739751 0.78 GBA1 (0.47) GSK3BGBA1SLC6A2KMT2A
SCHEMBL632400 0.77 KMT2A (0.36) SLC6A2KMT2A
SCHEMBL631702 0.77 TAAR1 (0.34) GBA1TAAR1
SCHEMBL14189412 0.74 TAAR1 (0.57) TAAR1
SCHEMBL631671 0.74 NR1H2 (0.42) TAAR1
SCHEMBL30775425 0.72 SLC6A2 (0.47) GSK3BGBA1SLC6A2TAAR1KMT2A
SCHEMBL633338 0.71 ALOX15 (0.30)
SCHEMBL631906 0.71 L3MBTL1 (0.38) TAAR1KMT2A
SCHEMBL633000 0.71 GRIN2A (0.43)

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 GSK3B 104/4885GBA1 1124/4885SLC6A2 118/4885

“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.