SCHEMBL2104709

SCHEMBL2104709

CCc1nn(C(C)C)c(CC)c1Cc1cnc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
HRH4 Q9H3N8 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
LMNA P02545 1/20 0.38
APEX1 P27695 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL2105421 0.82 HRH3 (0.39) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL2105378 0.81 HRH3 (0.38) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL2102359 0.78 HRH3 (0.40) HRH3
SCHEMBL957478 0.73 TAAR1 (0.47)
SCHEMBL2104108 0.67 HRH3 (0.41) HRH3HRH4ALDH1A1MEN1KMT2A
SCHEMBL233717 0.64
SCHEMBL2626816 0.64 ADRA1D (0.55) HRH3HRH4
SCHEMBL23402621 0.62 POLB (0.31)
SCHEMBL23402103 0.60 POLB (0.32)
SCHEMBL2626819 0.60 HRH3 (0.55) HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
US-8158668-B2 Methods for treating CNS disorders with 4-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-04-17 US disclosed
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
EP-1981880-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
US-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
WO-2007085556-A2 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 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-20070197622-A1 Methods for treating CNS disorders with 4-imidazole derivatives CRY1, GPR119, MTNR1A HRH3 213/4885HRH4 109/4885ALDH1A1 351/4885

“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.