SCHEMBL338513

SCHEMBL338513

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ALOX5 P09917 3/20 0.35
MAPK8 P45983 3/20 0.34
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 1/20 0.32
PARP10 Q53GL7 2/20 0.32
PARP15 Q460N3 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
POLB P06746 1/20 0.31
MAPK9 P45984 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
SCHEMBL3642588 1.00 DPP4 (0.41) DPP4DPP7ALOX5MAPK8KCNQ3
SCHEMBL338096 0.89 DPP4 (0.33) DPP4DPP7ALOX5MAPK8SLC1A3
SCHEMBL337555 0.89 DPP4 (0.33) DPP4DPP7ALOX5MAPK8SLC1A3
SCHEMBL338510 0.89 DPP4 (0.33) DPP4DPP7ALOX5MAPK8SLC1A3
SCHEMBL337586 0.89 DPP4 (0.33) DPP4DPP7ALOX5MAPK8SLC1A3
SCHEMBL1967077 0.89 DPP4 (0.33) DPP4DPP7ALOX5MAPK8SLC1A3
SCHEMBL30816834 0.82 CD38 (0.32) ALOX5
SCHEMBL337580 0.82 BRD4 (0.39) DPP4DPP7MAPK8KCNQ3KCNQ2
SCHEMBL10086750 0.82 BRD4 (0.39) DPP4DPP7MAPK8KCNQ3KCNQ2
SCHEMBL11683426 0.80 ALOX5 (0.45) ALOX5SLC1A3SLC1A2SLC1A1PARP10

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 3052/4885ALOX5 1489/4885

“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.