SCHEMBL2741582

SCHEMBL2741582

CC(C)C(Cc1cnc[nH]1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
HRH4 Q9H3N8 4/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
GLA P06280 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
LMNA P02545 1/20 0.51
APEX1 P27695 1/20 0.51
BLM P54132 1/20 0.51
CYP19A1 P11511 10/20 0.51
TAAR1 Q96RJ0 4/20 0.50
KCNH2 Q12809 1/20 0.48

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
SCHEMBL222295 0.83 HRH3 (0.56) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL226163 0.81 CYP19A1 (0.58) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL2741596 0.79 CYP19A1 (0.50) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL2741581 0.77 CYP19A1 (0.59) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL21579874 0.73 HRH3 (0.66) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL8138070 0.73 CYP19A1 (0.53) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL2736110 0.73
SCHEMBL4070765 0.71 AGTR2 (0.54) ALDH1A1MEN1KMT2ALMNA
SCHEMBL18682135 0.70 HRH3 (0.72) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL27840973 0.70 HIF1A (0.47) HRH3HRH4CYP19A1TAAR1KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-8399463-B2 Imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US disclosed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 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 (3 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-20100204233-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 HRH3 194/4885HRH4 142/4885ALDH1A1 246/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 HRH3 194/4885HRH4 142/4885ALDH1A1 246/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 HRH3 194/4885HRH4 142/4885ALDH1A1 246/4885

“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.