SCHEMBL3874633

SCHEMBL3874633

c1cc2c(cc1C1CCCCO1)CNC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
PRKAG1 P54619 8/20 0.36
PRKAA1 Q13131 8/20 0.36
PRKAB1 Q9Y478 8/20 0.36
PRKAA2 P54646 7/20 0.36
PRKAB2 O43741 6/20 0.36
PRKAG3 Q9UGI9 6/20 0.36
PRKAG2 Q9UGJ0 6/20 0.36
SLC6A9 P48067 1/20 0.34
KDR P35968 5/20 0.33
TEK Q02763 5/20 0.33

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
SCHEMBL3874954 0.77 DDB1 (0.39) DDB1CRBN
SCHEMBL1095482 0.71 DDB1 (0.45) DDB1CRBNSLC6A9
SCHEMBL10423084 0.71 SLC6A3 (0.46) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL31122203 0.71 DDB1 (0.51) DDB1CRBN
SCHEMBL29649408 0.71 PRKAG1 (0.41) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL19662088 0.70 KCNH2 (0.50) KCNH2HRH3PRKAG1PRKAA1PRKAB1
Hydrochloric Acid SCHEMBL3882894 0.70 DDB1 (0.44) DDB1CRBNSLC6A9
SCHEMBL7525756 0.70 PRKAG1 (0.40) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL27998911 0.70 PRKAG1 (0.43) KCNH2HRH3PRKAG1PRKAA1PRKAB1
SCHEMBL27998913 0.70 PRKAG1 (0.43) KCNH2HRH3PRKAG1PRKAA1PRKAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (2 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 DDB1 4325/4885CRBN 4032/4885KCNH2 1197/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 DDB1 4325/4885CRBN 4032/4885KCNH2 1197/4885

“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.