SCHEMBL337044

SCHEMBL337044

COC1CCC(CC(N)=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.38
TDP1 Q9NUW8 1/20 0.34
DAO P14920 1/20 0.34
DGAT1 O75907 2/20 0.34
HSD11B1 P28845 1/20 0.34
SOAT1 P35610 1/20 0.34
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
ALOX5 P09917 1/20 0.33
PARP1 P09874 1/20 0.33
EPHX2 P34913 1/20 0.33
NAMPT P43490 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
POLB P06746 1/20 0.31
ANPEP P15144 1/20 0.31
ENPEP Q07075 1/20 0.31

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
SCHEMBL1966898 1.00 GRM1 (0.38) GRM1TDP1DAODGAT1HSD11B1
SCHEMBL338096 0.88 DPP4 (0.33) GRM1TDP1DGAT1HSD11B1SOAT1
SCHEMBL337555 0.88 DPP4 (0.33) GRM1TDP1DGAT1HSD11B1SOAT1
SCHEMBL338510 0.88 DPP4 (0.33) GRM1TDP1DGAT1HSD11B1SOAT1
SCHEMBL337586 0.88 DPP4 (0.33) GRM1TDP1DGAT1HSD11B1SOAT1
SCHEMBL1967077 0.88 DPP4 (0.33) GRM1TDP1DGAT1HSD11B1SOAT1
SCHEMBL1896079 0.82 TDP1 (0.46) TDP1DGAT1HSD11B1SOAT1ALOX5
SCHEMBL303265 0.82
SCHEMBL322739 0.81 ANPEP (0.43) GRM1TDP1DAODGAT1KCNQ3
SCHEMBL322740 0.81 ANPEP (0.43) GRM1TDP1DAODGAT1KCNQ3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HOFFMAN-LA ROCHE INC. 2014-11-27 US claimed
US-8829029-B2 Dual modulators of 5HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US claimed
EP-2183245-B1 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-07-09 EP claimed
US-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HOFFMANN-LA ROCHE INC. (US) 2013-06-27 US claimed
EP-2185513-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-19 EP claimed
EP-2183245-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-12 EP claimed
WO-2009019174-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO claimed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 US claimed
WO-2009013212-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO claimed
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HOFFMAN-LA ROCHE INC. 2014-11-27 US disclosed
US-8829029-B2 Dual modulators of 5HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed
EP-2183245-B1 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-07-09 EP disclosed
US-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HOFFMANN-LA ROCHE INC. (US) 2013-06-27 US disclosed
US-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
WO-2009019174-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 US disclosed
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013212-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 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 (4 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-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A GRM1 79/4885TDP1 1822/4885DAO 1291/4885
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A GRM1 80/4885TDP1 1418/4885DAO 1688/4885
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A GRM1 79/4885TDP1 1822/4885DAO 1291/4885
US-20090029977-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A GRM1 79/4885TDP1 1822/4885DAO 1291/4885

“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.