SCHEMBL12993166

SCHEMBL12993166

c1ccc(COc2cccc3c2CCCN3Cc2cnc[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.58
IDO1 P14902 1/20 0.45
ROCK1 Q13464 1/20 0.44
HTR6 P50406 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HTT P42858 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL8205622 0.85 TAAR1 (0.62) TAAR1FNTAFNTBHRH3
SCHEMBL8203733 0.82 TAAR1 (0.59) TAAR1ADRA1DADRA1AADRA1BFNTA
SCHEMBL3529731 0.80 ROCK1 (0.45) ROCK1HTR6HTR1ASLC6A2SLC6A4
SCHEMBL1734420 0.80 ROCK1 (0.50) TAAR1ROCK1HTR6FNTAFNTB
SCHEMBL8196267 0.78 TAAR1 (0.64) TAAR1FNTAFNTBHRH3
SCHEMBL8210605 0.78 TAAR1 (0.64) TAAR1HRH3
SCHEMBL8209031 0.78 TAAR1 (0.61) TAAR1FNTAFNTBHRH4
SCHEMBL3527996 0.75 TAAR1 (1.00) TAAR1ADRA1AFNTAFNTB
SCHEMBL2741614 0.73 ADRA1A (0.68) TAAR1IDO1ADRA1DADRA1AADRA1B
SCHEMBL8203976 0.73 TAAR1 (0.64) TAAR1ADRA1DADRA1AADRA1BFNTA

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 4 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 disclosed
US-7858652-B2 Substituted 4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2010-12-28 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

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 1/4885IDO1 442/4885ROCK1 1612/4885

“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.