SCHEMBL7501858

SCHEMBL7501858

CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@H](C(=O)O)C2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
ITGB3 P05106 15/20 0.52
ITGA2B P08514 15/20 0.52
F2R P25116 12/20 0.52
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6538722 1.00 HPGD (0.52) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL6538726 1.00 HPGD (0.52) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL7496179 0.94 HPGD (0.52) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL27962065 0.89 HPGD (0.51) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL27961946 0.87 ITGB3 (0.52) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL28917182 0.86 ALDH1A1 (0.56) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL28917184 0.86 ALDH1A1 (0.56) HPGDITGB3ITGA2BF2RALDH1A1
SCHEMBL7500093 0.86 ITGB3 (0.74) ITGB3ITGA2BF2R
SCHEMBL7501631 0.86 ITGB3 (0.74) ITGB3ITGA2BF2R
SCHEMBL23897836 0.85 MEN1 (0.52) HPGDITGB3ITGA2BF2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 HPGD 1723/4885ITGB3 52/4885ITGA2B 14/4885

“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.