SCHEMBL632055

SCHEMBL632055

CC(C)N(Cc1c[nH]cn1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
BCHE P06276 2/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
AR P10275 1/20 0.39

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
SCHEMBL632131 0.85 TAAR1 (0.43) TAAR1
SCHEMBL631843 0.82 TAAR1 (0.44) TAAR1ALDH1A1
SCHEMBL633148 0.82 NOX1 (0.52) TAAR1BCHEPTGS1PTGS2LMNA
SCHEMBL11670174 0.82 BCHE (0.52) BCHEPTGS1PTGS2LMNACYP1A2
SCHEMBL632592 0.80 TAAR1 (0.40) TAAR1CYP2C19
SCHEMBL14189390 0.79 TAAR1 (0.72) TAAR1
SCHEMBL631757 0.77 TAAR1 (0.39) TAAR1
SCHEMBL19668494 0.77 TAAR1 (0.55) TAAR1
SCHEMBL632308 0.74 TAAR1 (0.49) TAAR1
SCHEMBL631728 0.74 TAAR1 (0.38) TAAR1

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 419/4885BCHE 373/4885PTGS1 2541/4885

“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.