SCHEMBL3873208

SCHEMBL3873208

CN(C)C(=O)COc1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.56
HTR1B P28222 2/20 0.49
ADRB2 P07550 3/20 0.48
ADRB1 P08588 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
LMNA P02545 2/20 0.48
ADRB3 P13945 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP2D6 P10635 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL1137564 0.83 KDM4E (0.58) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL15252019 0.82 F9 (0.49) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL1137563 0.81 HTR1B (0.53) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL4217466 0.81 HTR1A (0.50) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL827777 0.78 HTR1B (0.59) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL7495860 0.78 BCHE (0.60) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL29938170 0.78 BCHE (0.60) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL4864576 0.75 HTR1A (0.60) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL24803786 0.74 MAPT (0.45) HTR1AHTR1BADRB2ADRB1CYP1A2
Dimethylamine SCHEMBL4864584 0.74 HTR1B (0.58) HTR1AHTR1BADRB2ADRB1CYP1A2

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 7 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
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-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP 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 HTR1A 184/4885HTR1B 169/4885ADRB2 229/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 HTR1A 184/4885HTR1B 169/4885ADRB2 229/4885

“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.