SCHEMBL4958481

SCHEMBL4958481

CC(C)(C)OC(=O)N1CCCC1CNCS(=O)(=O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ OPRD1 P41143 1/20 0.44
▸ FPR3 P25089 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ APP P05067 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HRH2 P25021 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43

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
SCHEMBL190269 0.88 APP (0.46) SMN1; SMN2OPRD1FPR3FPR2APP
SCHEMBL4955652 0.82 DPP4 (0.44) SMN1; SMN2OPRD1FPR3FPR2APP
SCHEMBL8290278 0.82 DPP4 (0.44) SMN1; SMN2OPRD1FPR3FPR2APP
SCHEMBL2486249 0.82 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL18872558 0.82 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL15141639 0.80 SMN1; SMN2 (0.46) SMN1; SMN2OPRD1FPR3FPR2APP
SCHEMBL1237986 0.80 SMN1; SMN2 (0.46) SMN1; SMN2OPRD1FPR3FPR2KDM1A
SCHEMBL15141637 0.80 SMN1; SMN2 (0.46) SMN1; SMN2OPRD1FPR3FPR2APP
SCHEMBL3040560 0.79 SMN1; SMN2 (0.47) SMN1; SMN2OPRD1FPR3FPR2APP
SCHEMBL1483725 0.79 OPRD1 (0.51) SMN1; SMN2OPRD1FPR3FPR2KDM1A

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 SMN1; SMN2 3927/4885OPRD1 1248/4885FPR3 2384/4885

“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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