SCHEMBL7051582

SCHEMBL7051582

CCOC(=O)c1ccc(N2CCC[C@H](N)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.56
ALDH1A1 P00352 6/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PIM1 P11309 1/20 0.49
CLK2 P49760 1/20 0.49
MAP4K2 Q12851 1/20 0.49
CAMK2D Q13557 1/20 0.49
DYRK1A Q13627 1/20 0.49
PIM3 Q86V86 1/20 0.49
AURKB Q96GD4 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
STK17A Q9UEE5 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
HPGD P15428 3/20 0.49
HTT P42858 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.47

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
SCHEMBL7468160 1.00 DPP4 (0.56) DPP4ALDH1A1PRKD3MAP4K4PIM1
SCHEMBL383362 0.92 PRKD3 (0.56) DPP4ALDH1A1PRKD3MAP4K4PIM1
SCHEMBL382516 0.92 PRKD3 (0.56) DPP4ALDH1A1PRKD3MAP4K4PIM1
SCHEMBL7470844 0.86 ALDH1A1 (0.50) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL7467833 0.85 PRKD3 (0.48) DPP4ALDH1A1PRKD3MAP4K4PIM1
SCHEMBL15630879 0.85 ALDH1A1 (0.52) DPP4ALDH1A1HPGDMEN1KMT2A
SCHEMBL27966604 0.85 ALDH1A1 (0.52) DPP4ALDH1A1HPGDMEN1KMT2A
SCHEMBL378149 0.84 HPGD (0.54) ALDH1A1PRKD3MAP4K4PIM1CLK2
SCHEMBL21135449 0.84 ALDH1A1 (0.48) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL21135497 0.84 ALDH1A1 (0.48) ALDH1A1HPGDHTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP 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-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 DPP4 2742/4885ALDH1A1 1169/4885PRKD3 679/4885

“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.