SCHEMBL12993243

SCHEMBL12993243

CC1c2ccccc2N(Cc2cnc[nH]2)C1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.46
HRH3 Q9Y5N1 4/20 0.40
FNTA P49354 3/20 0.38
FNTB P49356 3/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR1D P28221 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR3A P46098 2/20 0.37
ADRA1A P35348 1/20 0.37
HTR1E P28566 1/20 0.37
HTR7 P34969 1/20 0.37
HTR5A P47898 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL8202698 0.74 TAAR1 (0.54) TAAR1HRH3FNTAFNTB
SCHEMBL8203891 0.74 TAAR1 (0.54) TAAR1FNTAFNTBADRA1A
SCHEMBL8207883 0.73 TAAR1 (0.60) TAAR1HRH3FNTAFNTB
SCHEMBL5038633 0.72 GAA (0.36)
SCHEMBL4257032 0.72 GAA (0.36)
SCHEMBL8202717 0.71 HSD11B1 (0.47) TAAR1HRH3FNTAFNTBHTR1D
SCHEMBL16811705 0.70 GAA (0.45)
SCHEMBL18622540 0.70 GAA (0.45)
SCHEMBL16810876 0.70 GAA (0.45)
SCHEMBL8204699 0.69 TAAR1 (0.57) TAAR1FNTAFNTB

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 1/4885HRH3 62/4885FNTA 3660/4885

“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.