SCHEMBL3525869

SCHEMBL3525869

COc1ccc2c(c1)N(Cc1cnc[nH]1)CCC2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.65
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
HRH3 Q9Y5N1 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TYMS P04818 1/20 0.40

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
SCHEMBL8204694 0.93 TAAR1 (0.63) TAAR1HDAC1HDAC6CYP17A1CYP19A1
SCHEMBL3527567 0.91 TAAR1 (0.65) TAAR1HDAC1HDAC6CYP17A1CYP19A1
SCHEMBL12993275 0.89 TAAR1 (0.62) TAAR1HDAC1HDAC6FNTAFNTB
SCHEMBL12993176 0.89 TAAR1 (0.62) TAAR1HDAC1HDAC6FNTAFNTB
SCHEMBL3526150 0.87 TAAR1 (0.60) TAAR1HDAC1HDAC6CYP17A1CYP19A1
SCHEMBL12993187 0.85 TAAR1 (0.67) TAAR1FNTAFNTB
SCHEMBL12992898 0.83 TAAR1 (0.63) TAAR1HDAC1HDAC6CYP17A1CYP19A1
SCHEMBL8210605 0.83 TAAR1 (0.64) TAAR1HRH3
SCHEMBL3527996 0.79 TAAR1 (1.00) TAAR1FNTAFNTB
SCHEMBL1736736 0.77 HDAC1 (0.48) HDAC1HDAC6HRH3HTR2CHTR2B

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 11 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
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
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
US-20080139533-A1 SUBSTITUTED 4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 US 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
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 1/4885HDAC1 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.