SCHEMBL631906

SCHEMBL631906

CCN(Cc1c[nH]cn1)c1ccnc(Oc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK8 P45983 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
ALDH1A1 P00352 4/20 0.31
CYP1A2 P05177 4/20 0.31
CYP2C19 P33261 3/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30
CTSK P43235 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
ACACB O00763 1/20 0.30
CYP2C9 P11712 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 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
SCHEMBL10228944 0.79 TAAR1 (0.55) TAAR1
SCHEMBL632281 0.78 TAAR1 (0.32) TAAR1
SCHEMBL631972 0.74 FGFR1 (0.40) L3MBTL1SMN1; SMN2MAPK8ALDH1A1CYP1A2
SCHEMBL632763 0.71 GSK3B (0.35) TAAR1KMT2A
SCHEMBL633089 0.71 GPR4 (0.37) CTSK
SCHEMBL631702 0.71 TAAR1 (0.34) TAAR1
Dimethylformamide SCHEMBL28799033 0.70 SMN1; SMN2 (0.31) L3MBTL1SMN1; SMN2MAPK8ALDH1A1CYP1A2
SCHEMBL631641 0.70 GRM5 (0.34) MEN1KMT2A
SCHEMBL633148 0.68 NOX1 (0.52) L3MBTL1SMN1; SMN2TAAR1ALDH1A1CYP1A2
SCHEMBL632339 0.68 CACNA2D1 (0.37) ALDH1A1

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 L3MBTL1 1573/4885SMN1; SMN2 1921/4885MAPK8 3473/4885

“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.