SCHEMBL632742

SCHEMBL632742

COc1ccc(-c2nc(C)cc(N(Cc3c[nH]cn3)C(C)C)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
TP53 P04637 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ESR1 P03372 2/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL8216318 0.79 TAAR1 (0.61) TAAR1
SCHEMBL632776 0.72 TAAR1 (0.36) TAAR1ALDH1A1
SCHEMBL632297 0.71 TAAR1 (0.38) TAAR1
SCHEMBL631914 0.69 TAAR1 (0.39) TAAR1
SCHEMBL17720570 0.68 KDM4E (0.57) MAPTSMN1; SMN2KMT2AABCG2TP53
SCHEMBL632642 0.68 CRHR1 (0.41) MAPTSMN1; SMN2TSHRKMT2ATAAR1
SCHEMBL633566 0.67 HRH4 (0.35) SMN1; SMN2TAAR1KDM4ENPC1ALDH1A1
SCHEMBL633565 0.67 HRH4 (0.35) SMN1; SMN2TAAR1KDM4ENPC1ALDH1A1
SCHEMBL631916 0.67 TAAR1 (0.33) TAAR1
SCHEMBL631756 0.67 TAAR1 (0.43) 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 MAPT 36/4885SMN1; SMN2 1921/4885TSHR 2098/4885

“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.