SCHEMBL7500351

SCHEMBL7500351

C#CC(CC(=O)OCC)NC(=O)[C@@H]1CCCN(C(=O)COC2CCN(C(=O)OCc3ccccc3)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 3/20 0.43
TSHR P16473 1/20 0.42
ITGB3 P05106 3/20 0.40
ITGA2B P08514 3/20 0.40
MMEL1 Q495T6 1/20 0.40
GRIN2B Q13224 2/20 0.39
F2R P25116 1/20 0.39

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
SCHEMBL7500356 0.84 HTT (0.45) L3MBTL1NPC1ALDH1A1CYP2C19CYP2D6
SCHEMBL7495925 0.84 ALDH1A1 (0.50) NPC1ALDH1A1CYP2C19CYP2D6CYP2C9
SCHEMBL7747725 0.84 ALDH1A1 (0.50) NPC1ALDH1A1CYP2C19CYP2D6CYP2C9
SCHEMBL7503664 0.82 ALDH1A1 (0.63) NPC1ALDH1A1CYP2C19CYP2D6CYP2C9
SCHEMBL7497263 0.79 SMN1; SMN2 (0.62) NPC1ALDH1A1CYP2C19CYP2D6CYP2C9
SCHEMBL7499311 0.79 HTT (0.56) NPC1ALDH1A1CYP2C19CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL7505253 0.79 ITGB3 (0.46) ALDH1A1ITGB3ITGA2BF2R
SCHEMBL7494010 0.79 ITGB3 (0.54) L3MBTL1NPC1ALDH1A1CYP2C19CYP2D6
SCHEMBL9113343 0.78 L3MBTL1 (0.49) L3MBTL1NPC1ALDH1A1CYP2C19CYP2D6
SCHEMBL7502325 0.78 ITGB3 (0.51) NPC1ALDH1A1CYP2C19CYP2D6CYP3A4

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-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
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 L3MBTL1 1562/4885NPC1 2613/4885ALDH1A1 416/4885

“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.