SCHEMBL7497263

SCHEMBL7497263

O=C(O)C1CCCN(C(=O)COC2CCN(C(=O)OCc3ccccc3)CC2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 2/20 0.62
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GRIN2B Q13224 4/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSD11B1 P28845 1/20 0.44

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
SCHEMBL7503664 0.89 ALDH1A1 (0.63) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL7502325 0.86 ITGB3 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL7497330 0.86 ITGB3 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL1933206 0.85 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL3277860 0.85 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL204145 0.85 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL7499311 0.84 HTT (0.56) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL6539357 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL6539363 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL895480 0.83 SMN1; SMN2 (0.89) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1

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 SMN1; SMN2 1226/4885NPC1 2613/4885RAB9A 1351/4885

“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.