SCHEMBL632586

SCHEMBL632586

CCN(Cc1c[nH]cn1)c1ccc(Oc2ccccc2Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 5/20 0.41
SLC6A4 P31645 4/20 0.41
TAAR1 Q96RJ0 1/20 0.37
S1PR1 P21453 1/20 0.36

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
SCHEMBL631971 0.86 TAAR1 (0.37) TAAR1S1PR1
SCHEMBL632650 0.86 TAAR1 (0.36) SLC6A4TAAR1
SCHEMBL4045749 0.85 S1PR1 (0.39) TAAR1S1PR1
SCHEMBL633291 0.83 TAAR1 (0.43) SLC6A2SLC6A3SLC6A4TAAR1
SCHEMBL631660 0.83 TAAR1 (0.35) TAAR1S1PR1
SCHEMBL633519 0.82 S1PR1 (0.48) TAAR1S1PR1
SCHEMBL631771 0.81 ALDH1A1 (0.39) TAAR1S1PR1
SCHEMBL631575 0.80 TAAR1 (0.39) TAAR1S1PR1
SCHEMBL14189396 0.79 TAAR1 (0.62) TAAR1
SCHEMBL632986 0.77 S1PR1 (0.38) TAAR1S1PR1

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 3 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
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US 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 SLC6A2 118/4885SLC6A3 49/4885SLC6A4 10/4885

“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.