SCHEMBL631971

SCHEMBL631971

CCN(Cc1c[nH]cn1)c1ccc(OC)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL631771 0.90 ALDH1A1 (0.39) TAAR1ALDH1A1L3MBTL1S1PR1MAPT
SCHEMBL631660 0.87 TAAR1 (0.35) TAAR1S1PR1
SCHEMBL632586 0.86 SLC6A2 (0.41) TAAR1S1PR1
SCHEMBL633519 0.86 S1PR1 (0.48) TAAR1S1PR1
SCHEMBL632650 0.85 TAAR1 (0.36) TAAR1MAPTNPSR1
SCHEMBL4045749 0.84 S1PR1 (0.39) TAAR1ALDH1A1L3MBTL1S1PR1MAPT
SCHEMBL631575 0.84 TAAR1 (0.39) TAAR1S1PR1
SCHEMBL632986 0.81 S1PR1 (0.38) TAAR1S1PR1
SCHEMBL632206 0.79 ALDH1A1 (0.40) TAAR1ALDH1A1GAAMAPTHTT
SCHEMBL631727 0.77 TAAR1 (0.57) TAAR1MAPT

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 TAAR1 419/4885ALDH1A1 631/4885L3MBTL1 1573/4885

“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.