SCHEMBL7500356

SCHEMBL7500356

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 3/20 0.42
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 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
SCHEMBL7747725 0.84 ALDH1A1 (0.50) HTTSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL7495925 0.84 ALDH1A1 (0.50) HTTSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL7500351 0.84 L3MBTL1 (0.45) HTTSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL7503664 0.83 ALDH1A1 (0.63) HTTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7502325 0.81 ITGB3 (0.51) HTTSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL7497330 0.81 ITGB3 (0.51) HTTSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL7499311 0.81 HTT (0.56) HTTSMN1; SMN2NPC1RAB9AITGB3
SCHEMBL7497263 0.80 SMN1; SMN2 (0.62) HTTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9113339 0.79 KMT2A (0.54) HTTSMN1; SMN2NPC1RAB9AITGB3
Trifluoroacetic Acid SCHEMBL7505255 0.78 ITGB3 (0.45) ITGB3ITGA2BALDH1A1

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 HTT 2480/4885SMN1; SMN2 1226/4885NPC1 2613/4885

“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.