SCHEMBL12993145

SCHEMBL12993145

Fc1cc2c(cc1F)N(Cc1cnc[nH]1)CC2

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.63
DRD2 P14416 1/20 0.41
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
CYP17A1 P05093 1/20 0.38
CYP3A4 P08684 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
HRH4 Q9H3N8 2/20 0.38
HTR2A P28223 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
LMNA P02545 1/20 0.36
MIF P14174 1/20 0.36
TSHR P16473 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL12993153 0.84 TAAR1 (0.67) TAAR1DRD2FNTAFNTBCYP17A1
SCHEMBL12993050 0.84 TAAR1 (0.67) TAAR1DRD2FNTAFNTBCYP17A1
SCHEMBL8205096 0.81 TAAR1 (0.67) TAAR1FNTAFNTBHRH3
SCHEMBL12993227 0.78 TAAR1 (0.67) TAAR1DRD2FNTAFNTBHRH3
SCHEMBL12993134 0.78 TAAR1 (0.67) TAAR1DRD2FNTAFNTBHTR2A
SCHEMBL12993245 0.78 TAAR1 (0.67) TAAR1DRD2FNTAFNTB
SCHEMBL12993043 0.78 TAAR1 (0.67) TAAR1DRD2FNTAFNTB
SCHEMBL8210904 0.78 TAAR1 (0.63) TAAR1HRH3HRH4HTR2AHTR2C
SCHEMBL508524 0.77 TAAR1 (1.00) TAAR1FNTAFNTBLMNA
SCHEMBL8204694 0.76 TAAR1 (0.63) TAAR1FNTAFNTBCYP17A1HRH3

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 1/4885DRD2 297/4885FNTA 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.