SCHEMBL7446986

SCHEMBL7446986

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

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.73
ITGA2B P08514 14/20 0.73
HTT P42858 1/20 0.49
F2R P25116 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7508377 0.94 ITGB3 (0.65) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7498519 0.94 ITGB3 (0.64) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7504164 0.93 ITGB3 (0.74) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7500565 0.91 ITGB3 (0.72) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7496847 0.90 ITGB3 (0.68) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7501267 0.90 ITGB3 (0.63) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7746235 0.90 ITGB3 (0.67) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7498550 0.89 ITGB3 (0.69) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7500193 0.88 ITGB3 (0.65) ITGB3ITGA2BHTTF2RSMN1; SMN2
SCHEMBL7494008 0.88 ITGB3 (0.64) ITGB3ITGA2BHTTF2RSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
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
US-20010016571-A1 N-[ (R) -1-{3- (4- piperidyl) propionyl } -3-piperidylcarbonyl] -2 (S) -acetylamino-beta -alanine as fibrinogen receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 US disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO 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 (2 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
US-20010016571-A1 N-[ (R) -1-{3- (4- piperidyl) propionyl } -3-piperidylcarbonyl] -2 (S) -acetylamino-beta -alanine as fibrinogen receptor antagonist F2RL1, F2R, PTAFR ITGB3 91/4885ITGA2B 26/4885HTT 3419/4885

“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.