SCHEMBL3530973

SCHEMBL3530973

c1ccc(COc2ccc3c(c2)CCCN3Cc2c[nH]cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
HRH3 Q9Y5N1 7/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
ACHE P22303 1/20 0.46
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SRD5A1 P18405 1/20 0.43
CYP2D6 P10635 2/20 0.43
KDM1A O60341 1/20 0.41

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
SCHEMBL3527975 0.92 HRH3 (0.47) ADRB3ADRB2ADRB1HRH3PDK1
SCHEMBL24200094 0.84 ADRB3 (0.63) ADRB3ADRB2ADRB1HRH3PDK1
SCHEMBL8196267 0.80 TAAR1 (0.64) ADRB3ADRB2ADRB1HRH3PDK1
SCHEMBL4828614 0.79 TAAR1 (0.56)
SCHEMBL3529551 0.79 HRH3 (0.40) ADRB3ADRB2ADRB1HRH3ACHE
SCHEMBL3529731 0.78 ROCK1 (0.45) HRH3ACHE
SCHEMBL3531066 0.78 HDAC1 (0.46) HRH3PDK1PDK2PDK3PDK4
SCHEMBL22432716 0.77 HRH3 (0.60) ADRB3ADRB2ADRB1HRH3PDK1
SCHEMBL3527624 0.77 MTNR1A (0.43) SRD5A1
SCHEMBL3529797 0.76 HRH3 (0.49) ADRB3ADRB2ADRB1HRH3

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 ADRB3 79/4885ADRB2 72/4885ADRB1 40/4885

“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.