SCHEMBL631566

SCHEMBL631566

CCN(Cc1c[nH]cn1)c1ccc(CN2CCCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
GHSR Q92847 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIA2 P42262 4/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
LTA4H P09960 1/20 0.36
CYP2D6 P10635 1/20 0.35
S1PR1 P21453 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL633403 0.85 ACACB (0.42) ACACBL3MBTL1HRH3GRIA2CYP1A2
SCHEMBL8213142 0.79 TAAR1 (0.53) CYP2D6
SCHEMBL2754389 0.76 L3MBTL1 (0.41) ACACBL3MBTL1HRH3MEN1KMT2A
SCHEMBL633125 0.73 CNR2 (0.42)
SCHEMBL632702 0.72 CNR2 (0.48) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL633000 0.71 GRIN2A (0.43) ALDH1A1KDM4EGRIA2HTT
SCHEMBL632294 0.71 TRPM5 (0.50) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11048476 0.71 L3MBTL1 (0.56) ACACBL3MBTL1HRH3KMT2AGRIA2
SCHEMBL631671 0.71 NR1H2 (0.42) HRH3ALDH1A1LMNA
SCHEMBL11200681 0.70 L3MBTL1 (0.76) ACACBL3MBTL1HRH3KMT2AGRIA2

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 ACACB 1520/4885L3MBTL1 1573/4885GHSR 645/4885

“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.