SCHEMBL3533600

SCHEMBL3533600

CC(C)Oc1ccc2c(c1)N(Cc1c[nH]cn1)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.44
HRH3 Q9Y5N1 3/20 0.43
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
EZH2 Q15910 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 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
SCHEMBL3529797 0.87 HRH3 (0.49) RORCHRH3HDAC1HDAC6ALDH1A1
SCHEMBL3529551 0.83 HRH3 (0.40) HRH3HDAC1HDAC6LMNAALDH1A1
SCHEMBL3527975 0.81 HRH3 (0.47) HRH3TP53ADRB2ADRB1ADRB3
SCHEMBL3525987 0.81 HDAC1 (0.43) HRH3HDAC1HDAC6ALDH1A1TSHR
SCHEMBL12993176 0.79 TAAR1 (0.62) RORCHRH3HDAC1HDAC6LMNA
SCHEMBL12359743 0.79 ACHE (0.44) HRH3LMNAALDH1A1KDM4EMEN1
SCHEMBL1735449 0.78 RORC (0.41) RORCHRH3HDAC1HDAC6LMNA
SCHEMBL12512962 0.78 NR1I3 (0.42) RORCHDAC1HDAC6LMNATP53
SCHEMBL12359493 0.77 RAB9A (0.44) RORCHDAC1HDAC6TP53ALDH1A1
SCHEMBL4828614 0.76 TAAR1 (0.56) HDAC1HDAC6LMNATP53ALDH1A1

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 RORC 910/4885HRH3 62/4885HDAC1 1588/4885

“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.