SCHEMBL4958478

SCHEMBL4958478

CN(CC1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.40
▸ ATM Q13315 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE8B O95263 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ APP P05067 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36

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
SCHEMBL8289026 1.00 HSD17B10 (0.40) HSD17B10ATMSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL190268 0.87 HSD17B10 (0.41) HSD17B10ATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL1401178 0.83 HSD17B10 (0.49) HSD17B10ATMSMN1; SMN2ALDH1A1PDE8B
SCHEMBL20522096 0.83 HSD17B10 (0.49) HSD17B10ATMSMN1; SMN2ALDH1A1PDE8B
SCHEMBL18497645 0.78 ATM (0.44) HSD17B10ATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL18497643 0.78 ATM (0.44) HSD17B10ATMSMN1; SMN2ALDH1A1MEN1
SCHEMBL1598305 0.76 CYP2D6 (0.44) HSD17B10ATMSMN1; SMN2ALDH1A1CYP2D6
SCHEMBL4955652 0.76 DPP4 (0.44) HSD17B10ATMSMN1; SMN2ALDH1A1DPP4
SCHEMBL8290278 0.76 DPP4 (0.44) HSD17B10ATMSMN1; SMN2ALDH1A1DPP4
SCHEMBL1598307 0.76 CYP2D6 (0.44) HSD17B10ATMSMN1; SMN2ALDH1A1CYP2D6

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 HSD17B10 1240/4885ATM 4787/4885SMN1; SMN2 3927/4885

“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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