SCHEMBL7746235

SCHEMBL7746235

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

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.67
ITGA2B P08514 12/20 0.67
HTT P42858 1/20 0.46
F2R P25116 4/20 0.45
PRCP P42785 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.42
ACE P12821 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL7818045 0.95 ITGB3 (0.60) ITGB3ITGA2BHTTF2RPRCP
SCHEMBL7496847 0.91 ITGB3 (0.68) ITGB3ITGA2BHTTF2RNPC1
SCHEMBL7446986 0.90 ITGB3 (0.73) ITGB3ITGA2BHTTF2RNPC1
SCHEMBL7504164 0.89 ITGB3 (0.74) ITGB3ITGA2BHTTF2RNPC1
SCHEMBL7500565 0.87 ITGB3 (0.72) ITGB3ITGA2BHTTF2RBCHE
SCHEMBL7746237 0.87 ITGB3 (0.54) ITGB3ITGA2BF2R
SCHEMBL7507533 0.86 ITGB3 (0.60) ITGB3ITGA2BHTTF2RBCHE
SCHEMBL7498550 0.85 ITGB3 (0.69) ITGB3ITGA2BHTTF2RBCHE
SCHEMBL7498519 0.85 ITGB3 (0.64) ITGB3ITGA2BHTTF2RBCHE
SCHEMBL7494008 0.85 ITGB3 (0.64) ITGB3ITGA2BHTTF2RNPC1

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-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 14/4885HTT 2480/4885

“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.