SCHEMBL2626850

SCHEMBL2626850

c1ccc(COc2cccc(Cc3cnc[nH]3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.63
TAAR1 Q96RJ0 1/20 0.62
CYP2D6 P10635 1/20 0.59
SSTR4 P31391 1/20 0.53
SSTR3 P32745 1/20 0.53
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
DHFR P00374 1/20 0.51
HRH4 Q9H3N8 2/20 0.50
DPYD Q12882 1/20 0.50

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
SCHEMBL2626848 0.84 HRH3 (0.57) HRH3TAAR1CYP2D6DHFRHRH4
SCHEMBL2626821 0.81 HRH3 (0.60) HRH3TAAR1CYP2D6HRH4
SCHEMBL632343 0.81 TAAR1 (0.62) TAAR1
SCHEMBL632268 0.80 TAAR1 (0.65) TAAR1
SCHEMBL632267 0.79 KMT2A (0.55) HRH3HRH4
SCHEMBL4948276 0.78 DPYD (0.53) CYP4F2CYP4A11DHFRDPYD
SCHEMBL1034848 0.78 HRH3 (1.00) HRH3TAAR1CYP2D6HRH4
SCHEMBL2626859 0.78 HRH3 (0.51) HRH3TAAR1CYP2D6HRH4
SCHEMBL632519 0.78 TAAR1 (0.67) TAAR1
SCHEMBL2626857 0.78 HRH3 (1.00) HRH3TAAR1CYP2D6HRH4

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-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-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

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.