SCHEMBL7501795

SCHEMBL7501795

CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)NC[C@@H](CCc3ccccc3)C(=O)O)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.54
ITGA2B P08514 12/20 0.54
F2R P25116 6/20 0.49
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GPR119 Q8TDV5 1/20 0.45
STS P08842 1/20 0.45
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL7504289 0.93 ITGB3 (0.52) ITGB3ITGA2BF2RKMT2AALDH1A1
SCHEMBL7492120 0.92 ITGB3 (0.47) ITGB3ITGA2BF2RKMT2AALDH1A1
SCHEMBL7498497 0.91 ITGB3 (0.48) ITGB3ITGA2BF2RKMT2AALDH1A1
SCHEMBL7496757 0.91 ITGB3 (0.47) ITGB3ITGA2BF2RALDH1A1NPC1
SCHEMBL7503555 0.90 ITGB3 (0.47) ITGB3ITGA2BF2RKMT2AGPR119
SCHEMBL7444755 0.90 ITGB3 (0.56) ITGB3ITGA2BF2RKMT2AGPR119
SCHEMBL7440093 0.89 KDM4E (0.56) ITGB3ITGA2BF2RKMT2AALDH1A1
SCHEMBL7500231 0.89 ITGB3 (0.45) ITGB3ITGA2BF2RKMT2AALDH1A1
SCHEMBL7846014 0.87 ITGB3 (0.51) ITGB3ITGA2BF2RKMT2AALDH1A1
SCHEMBL7501689 0.87 ITGB3 (0.52) ITGB3ITGA2BF2RKMT2AALDH1A1

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 5 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-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 ITGB3 52/4885ITGA2B 14/4885F2R 234/4885

“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.