SCHEMBL338096

SCHEMBL338096

CO[C@H]1CC[C@@H](CC(N)=O)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GRM1 Q13255 1/20 0.32
ALOX5 P09917 1/20 0.31
HTR2A P28223 7/20 0.31
DRD3 P35462 7/20 0.31
DRD2 P14416 6/20 0.31
EPHX2 P34913 1/20 0.31
MAPK8 P45983 1/20 0.30
HSD11B1 P28845 1/20 0.30
DGAT1 O75907 1/20 0.30
SOAT1 P35610 1/20 0.30
SLC1A3 P43003 2/20 0.30
SLC1A2 P43004 2/20 0.30
SLC1A1 P43005 2/20 0.30

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
SCHEMBL337555 1.00 DPP4 (0.33) DPP4DPP7TDP1GRM1ALOX5
SCHEMBL337586 1.00 DPP4 (0.33) DPP4DPP7TDP1GRM1ALOX5
SCHEMBL338510 1.00 DPP4 (0.33) DPP4DPP7TDP1GRM1ALOX5
SCHEMBL1967077 1.00 DPP4 (0.33) DPP4DPP7TDP1GRM1ALOX5
SCHEMBL338513 0.89 DPP4 (0.41) DPP4DPP7ALOX5MAPK8SLC1A3
SCHEMBL3642588 0.89 DPP4 (0.41) DPP4DPP7ALOX5MAPK8SLC1A3
SCHEMBL1966898 0.88 GRM1 (0.38) TDP1GRM1ALOX5EPHX2HSD11B1
SCHEMBL337044 0.88 GRM1 (0.38) TDP1GRM1ALOX5EPHX2HSD11B1
SCHEMBL6180497 0.82 GRM1 (0.32) DPP4DPP7GRM1HTR2ADRD3
SCHEMBL10086737 0.81 BRD4 (0.41) GRM1HTR2ADRD3DRD2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A DPP4 2519/4885DPP7 3052/4885TDP1 1418/4885

“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.