SCHEMBL4955652

SCHEMBL4955652

CC(C)(C)OC(=O)N1CCCC1CNS(=O)(=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.44
▸ DPP8 Q6V1X1 2/20 0.44
▸ DPP9 Q86TI2 2/20 0.44
▸ DPP7 Q9UHL4 2/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ OPRD1 P41143 1/20 0.43
▸ FPR3 P25089 1/20 0.42
▸ FPR2 P25090 1/20 0.42
▸ APP P05067 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ HTR2A P28223 1/20 0.42

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
SCHEMBL8290278 1.00 DPP4 (0.44) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL21664373 0.83 KDM1A (0.49) DPP4DPP8DPP9DPP7KDM1A
SCHEMBL4663327 0.83 SMN1; SMN2 (0.42) KDM1ASMN1; SMN2ATMALDH1A1
SCHEMBL4958481 0.82 SMN1; SMN2 (0.45) KDM1ASMN1; SMN2OPRD1FPR3FPR2
SCHEMBL21512417 0.82 KDM1A (0.43) KDM1ASMN1; SMN2OPRD1FPR3FPR2
SCHEMBL1598051 0.81 SMN1; SMN2 (0.49) KDM1ASMN1; SMN2OPRD1FPR3FPR2
SCHEMBL5109143 0.81 SMN1; SMN2 (0.49) KDM1ASMN1; SMN2OPRD1FPR3FPR2
SCHEMBL190145 0.81 SMN1; SMN2 (0.49) KDM1ASMN1; SMN2OPRD1FPR3FPR2
SCHEMBL24029271 0.80 SMN1; SMN2 (0.48) KDM1ASMN1; SMN2OPRD1FPR3FPR2
SCHEMBL20812666 0.80 OPRD1 (0.49) DPP4DPP8DPP9KDM1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 — — US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 — — EP disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 — — EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 — — 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 (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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 DPP4 1/4885DPP8 5/4885DPP9 4/4885

“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.

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