SCHEMBL223576

SCHEMBL223576

CN(C)c1cccc(OCc2c[nH]cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.52
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
FFAR1 O14842 1/20 0.36
ADAMTS4 O75173 1/20 0.36
KCNH2 Q12809 1/20 0.36
NOS3 P29474 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL221820 0.78 LMNA (0.45) FFAR1
SCHEMBL4427549 0.76 KCNH2 (0.55) APPNOS1TSHRKCNH2
SCHEMBL224970 0.74 LMNA (0.50)
SCHEMBL223976 0.74 RXRA (0.43) KCNH2
SCHEMBL2741615 0.73 TAAR1 (0.52) APP
Water SCHEMBL27907306 0.73 RXRA (0.42) KCNH2
SCHEMBL7455570 0.72 APP (0.60) APPNOS1NOS2BCHEACHE
SCHEMBL9719817 0.72 CYSLTR1 (0.66) NOS1NOS2
SCHEMBL6962789 0.72 APP (0.74) APPNOS1NOS2BCHE
SCHEMBL5206663 0.72 DRD2 (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004230-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO (DE) 2012-01-05 US claimed
US-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US claimed
US-20080146523-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-06-19 US claimed
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-20100204233-A1 IMIDAZOLE DERIVATIVES GALLEY GUIDO 2010-08-12 US disclosed
EP-2094668-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
WO-2008074679-A2 4-IMIDAZOLINES AS TAAR'S LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO 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 APP 1629/4885NOS1 663/4885NOS2 586/4885
US-20120004230-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 APP 1629/4885NOS1 663/4885NOS2 586/4885
US-20080146523-A1 IMIDAZOLE DERIVATIVES TAAR1, TAAR5, TACR1 APP 1629/4885NOS1 663/4885NOS2 586/4885

“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.