SCHEMBL7494010

SCHEMBL7494010

CCOC(=O)C[C@@H](NC(=O)C1CC1)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OCc3ccccc3)CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.54
ITGA2B P08514 14/20 0.54
F2R P25116 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL7498521 0.95 ITGB3 (0.52) ITGB3ITGA2BF2RL3MBTL1ALDH1A1
SCHEMBL7502459 0.93 ITGB3 (0.52) ITGB3ITGA2BF2RL3MBTL1ALDH1A1
SCHEMBL7507538 0.92 ITGB3 (0.49) ITGB3ITGA2BF2RL3MBTL1ALDH1A1
SCHEMBL7818049 0.92 ITGB3 (0.49) ITGB3ITGA2BF2RL3MBTL1ALDH1A1
SCHEMBL7505014 0.92 ITGB3 (0.49) ITGB3ITGA2BF2RL3MBTL1ALDH1A1
SCHEMBL7507375 0.91 ITGB3 (0.51) ITGB3ITGA2BF2RL3MBTL1ALDH1A1
SCHEMBL6936057 0.91 ITGB3 (0.55) ITGB3ITGA2BF2RL3MBTL1ALDH1A1
SCHEMBL6942125 0.91 ITGB3 (0.55) ITGB3ITGA2BF2RL3MBTL1ALDH1A1
SCHEMBL7504167 0.91 ITGB3 (0.61) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7500528 0.91 ITGB3 (0.52) ITGB3ITGA2BF2RL3MBTL1ALDH1A1

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 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.