SCHEMBL633138

SCHEMBL633138

CC(C)N(Cc1c[nH]cn1)c1ccc(N2CCOCC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LRRK2 Q5S007 3/20 0.37
ALDH3A1 P30838 1/20 0.37
ALDH1A3 P47895 1/20 0.37
CHEK1 O14757 2/20 0.36
AURKA O14965 2/20 0.36
JAK2 O60674 2/20 0.36
MAP4K4 O95819 2/20 0.36
PAK4 O96013 2/20 0.36
ABL1 P00519 2/20 0.36
CSF1R P07333 2/20 0.36
RET P07949 2/20 0.36
LTK P29376 2/20 0.36
KDR P35968 2/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 2/20 0.36
RPS6KA3 P51812 2/20 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
SCHEMBL632709 0.85 RORC (0.37) TAAR1MAPTGAASMN1; SMN2HTT
SCHEMBL632441 0.84 GRIA2 (0.42) MAPTGAASMN1; SMN2LRRK2ALDH3A1
SCHEMBL631812 0.81 TAAR1 (0.46) TAAR1SMN1; SMN2
SCHEMBL14189379 0.79 TAAR1 (0.67) TAAR1
SCHEMBL631782 0.78 TAAR1 (0.45) TAAR1
SCHEMBL631991 0.75 TAAR1 (0.45) TAAR1
SCHEMBL19668494 0.74 TAAR1 (0.55) TAAR1
SCHEMBL633291 0.72 TAAR1 (0.43) TAAR1
SCHEMBL632226 0.72 HTR2C (0.40) TAAR1
SCHEMBL633128 0.72 TAAR1 (0.42) TAAR1MAPTGAAALDH1A1

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 419/4885MAPT 36/4885GAA 418/4885

“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.