SCHEMBL3529797

SCHEMBL3529797

CCOc1ccc2c(c1)N(Cc1c[nH]cn1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.49
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACACB O00763 1/20 0.37
OGG1 O15527 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RORC P51449 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
MAPT P10636 1/20 0.35
ROCK1 Q13464 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
SCHEMBL3533600 0.87 RORC (0.44) HRH3HDAC1HDAC6TAAR1ALDH1A1
SCHEMBL3527975 0.85 HRH3 (0.47) HRH3ADRB2ADRB1ADRB3
SCHEMBL3529551 0.84 HRH3 (0.40) HRH3HDAC1HDAC6TAAR1ALDH1A1
SCHEMBL3525987 0.82 HDAC1 (0.43) HRH3HDAC1HDAC6ALDH1A1
SCHEMBL12993275 0.79 TAAR1 (0.62) HRH3HDAC1HDAC6TAAR1KMT2A
SCHEMBL4828614 0.78 TAAR1 (0.56) HDAC1HDAC6TAAR1ALDH1A1MEN1
SCHEMBL12512962 0.78 NR1I3 (0.42) HDAC1HDAC6MEN1KMT2ARORC
SCHEMBL1736753 0.77 HRH3 (0.47) HRH3HDAC1HDAC6ACACBOGG1
SCHEMBL12359750 0.77 NLRP3 (0.39) OGG1RORC
SCHEMBL3530973 0.76 ADRB3 (0.48) HRH3ADRB2ADRB1ADRB3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US claimed
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 HRH3 62/4885HDAC1 1588/4885HDAC6 2140/4885

“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.