SCHEMBL632709

SCHEMBL632709

CC(C)N(Cc1c[nH]cn1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.37
SLC2A1 P11166 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
KDM5B Q9UGL1 1/20 0.35
ALOX15 P16050 2/20 0.35
MAPK1 P28482 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 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
SCHEMBL633138 0.85 TAAR1 (0.39) ALDH1A1MAPTSMN1; SMN2HTTTAAR1
SCHEMBL632226 0.77 HTR2C (0.40) TAAR1KDM5B
SCHEMBL19668494 0.77 TAAR1 (0.55) TAAR1
SCHEMBL631757 0.77 TAAR1 (0.39) TAAR1
SCHEMBL8212498 0.76 TAAR1 (0.62) TAAR1
SCHEMBL633219 0.75 TAAR1 (0.36) TAAR1
SCHEMBL632131 0.73 TAAR1 (0.43) TAAR1
SCHEMBL633403 0.72 ACACB (0.42) PIK3CDL3MBTL1PLK4LMNA
SCHEMBL632308 0.72 TAAR1 (0.49) TAAR1
SCHEMBL631812 0.72 TAAR1 (0.46) SMN1; SMN2TAAR1

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 RORC 905/4885SLC2A1 232/4885ALDH1A1 631/4885

“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.