SCHEMBL2626821

SCHEMBL2626821

COc1cccc(Cc2cnc[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.60
▸ TAAR1 Q96RJ0 2/20 0.58
▸ CYP2D6 P10635 3/20 0.56
▸ HRH4 Q9H3N8 2/20 0.54
▸ ADRA2A P08913 1/20 0.53
▸ ADRA1A P35348 1/20 0.53

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
SCHEMBL2741586 0.87 TAAR1 (0.59) HRH3TAAR1CYP2D6HRH4
SCHEMBL2626848 0.85 HRH3 (0.57) HRH3TAAR1CYP2D6HRH4ADRA2A
SCHEMBL631902 0.83 CHRM2 (0.52) TAAR1CYP2D6HRH4
SCHEMBL2626850 0.81 HRH3 (0.63) HRH3TAAR1CYP2D6HRH4
SCHEMBL27986334 0.81 HRH3 (0.62) HRH3TAAR1HRH4
SCHEMBL2626846 0.79 HRH3 (0.53) HRH3TAAR1CYP2D6HRH4
SCHEMBL2626851 0.78 HRH3 (0.52) HRH3TAAR1CYP2D6HRH4ADRA2A
SCHEMBL23528205 0.76 CHRM2 (0.50) TAAR1
SCHEMBL2626810 0.76 HRH3 (0.65) HRH3TAAR1CYP2D6HRH4ADRA2A
SCHEMBL11228151 0.76 HRH3 (0.65) HRH3TAAR1CYP2D6HRH4ADRA2A

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 6 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
EP-1981880-B1 USE OF 4-IMIDAZOLE DERIVATIVES FOR CNS DISORDERS HOFFMANN LA ROCHE (CH) 2010-02-24 — — 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
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 213/4885TAAR1 79/4885CYP2D6 254/4885

“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.

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