SCHEMBL3526402

SCHEMBL3526402

CC(C)Oc1cccc2c1CCCN2Cc1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
ADRA1A P35348 11/20 0.41
ADRA1D P25100 7/20 0.41
ADRA1B P35368 6/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL3524887 0.89 HDAC1 (0.49) HRH3HDAC1HDAC6
SCHEMBL3527863 0.83 ADRA1D (0.41) HRH3ADRA1AADRA1DADRA1BHDAC1
SCHEMBL3529731 0.82 ROCK1 (0.45) HRH3HDAC1HDAC6
SCHEMBL3524800 0.82 NOTUM (0.44) HRH3HDAC1HDAC6
SCHEMBL8203733 0.79 TAAR1 (0.59) HRH3ADRA1AADRA1DADRA1BHDAC1
SCHEMBL3524521 0.77 NOTUM (0.40) HRH3
SCHEMBL3533600 0.76 RORC (0.44) HRH3ADRA1AADRA1DADRA1BHDAC1
SCHEMBL4828614 0.74 TAAR1 (0.56) HDAC1HDAC6
SCHEMBL3529275 0.72 NOTUM (0.39) ADRA1AADRA1DADRA1B
SCHEMBL12404781 0.68 BRD4 (0.35)

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 62/4885ADRA1A 41/4885ADRA1D 54/4885

“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.