SCHEMBL632642

SCHEMBL632642

Cc1cc(-c2ccccc2)nc(N(Cc2c[nH]cn2)C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.41
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 3/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SORD Q00796 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
VCP P55072 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA1 P30542 1/20 0.32

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
SCHEMBL632776 0.85 TAAR1 (0.36) ALDH1A1TAAR1L3MBTL1
SCHEMBL10228681 0.77 TAAR1 (0.58) TAAR1
SCHEMBL632114 0.77 KMT2A (0.47) KMT2ASMN1; SMN2TSHRLMNATP53
SCHEMBL632131 0.69 TAAR1 (0.43) TAAR1
SCHEMBL631756 0.68 TAAR1 (0.43) TAAR1
SCHEMBL632005 0.68 TAAR1 (0.38) TSHRTAAR1
SCHEMBL632258 0.68 CASR (0.38) TAAR1
SCHEMBL632742 0.68 MAPT (0.37) KMT2ASMN1; SMN2MAPTTSHRHPGD
SCHEMBL632846 0.67 TAAR1 (0.42) PKMTAAR1
SCHEMBL631916 0.65 TAAR1 (0.33) 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 CRHR1 1513/4885KMT2A 282/4885MEN1 941/4885

“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.