SCHEMBL7499119

SCHEMBL7499119

CC(C)(C)OC(=O)C[C@](N)(C#N)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.39
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HTR7 P34969 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PTPRC P08575 2/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30

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
SCHEMBL7299463 0.90 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4064230 0.79 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28463245 0.79 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL31206830 0.78 PNMT (0.39) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28049468 0.77 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL31164036 0.75 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL31164037 0.75 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28857904 0.75 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27813798 0.75 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL28072512 0.75 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B

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 PNMT 4041/4885NPC1 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.

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