SCHEMBL3526463

SCHEMBL3526463

Cc1nc(CN2CCCc3ccccc32)c[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
ALDH1A1 P00352 8/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
NR4A1 P22736 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
KDM4E B2RXH2 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
TSHR P16473 3/20 0.48
ALOX15 P16050 3/20 0.48
CASP1 P29466 2/20 0.48
HPGD P15428 1/20 0.48
USP2 O75604 1/20 0.43

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
SCHEMBL3528931 0.76 GRM5 (0.47) ALDH1A1MAPTKMT2ATSHRHPGD
SCHEMBL4828614 0.76 TAAR1 (0.56) TAAR1ALDH1A1MAPTGAAMAPK1
SCHEMBL3528823 0.74 HDAC1 (0.39) TAAR1ALDH1A1MAPTKDM4EHDAC1
SCHEMBL3523933 0.74 CHRM2 (0.44) TAAR1ALDH1A1MAPTGAAL3MBTL1
SCHEMBL3529086 0.74 TRPV1 (0.50) TAAR1ALDH1A1MAPTGAAMAPK1
SCHEMBL8214872 0.74 TAAR1 (0.61) TAAR1ALDH1A1MAPTGAAMAPK1
SCHEMBL10715285 0.73 ALDH1A1 (0.56) TAAR1ALDH1A1MAPTGAAMAPK1
SCHEMBL31453195 0.73 ALDH1A1 (0.49) TAAR1ALDH1A1MAPTGAAMAPK1
SCHEMBL3527618 0.73 XIAP (0.39) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL12679023 0.72 HDAC1 (0.69) TAAR1ALDH1A1MAPTGAAMAPK1

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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US claimed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
EP-2084152-A2 SUBSTITUTED 4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-08-05 EP disclosed
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US disclosed
WO-2008058867-A2 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 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-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES TAAR1, TAAR5, TACR1 TAAR1 1/4885ALDH1A1 701/4885MAPT 3290/4885

“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.