SCHEMBL7501689

SCHEMBL7501689

CCOC(=O)C(CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.52
ITGA2B P08514 8/20 0.52
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
F2R P25116 3/20 0.46
GPR119 Q8TDV5 1/20 0.46
KMT2A Q03164 1/20 0.45
STS P08842 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
YAP1 P46937 2/20 0.42
NPC1 O15118 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7504289 0.94 ITGB3 (0.52) ITGB3ITGA2BALDH1A1L3MBTL1F2R
SCHEMBL7445802 0.91 ITGB3 (0.54) ITGB3ITGA2BALDH1A1L3MBTL1F2R
SCHEMBL7446950 0.90 KDM4E (0.53) ITGB3ITGA2BALDH1A1F2RGPR119
SCHEMBL7506218 0.88 ITGB3 (0.49) ITGB3ITGA2BALDH1A1F2RKMT2A
SCHEMBL7503244 0.88 ITGB3 (0.50) ITGB3ITGA2BALDH1A1F2RGPR119
SCHEMBL7445639 0.87 ITGB3 (0.49) ITGB3ITGA2BALDH1A1F2RKMT2A
SCHEMBL7501795 0.87 ITGB3 (0.54) ITGB3ITGA2BALDH1A1F2RGPR119
SCHEMBL6936056 0.87 ITGB3 (0.69) ITGB3ITGA2BALDH1A1L3MBTL1F2R
SCHEMBL7451610 0.86 ITGB3 (0.48) ITGB3ITGA2BALDH1A1F2RKMT2A
SCHEMBL7498836 0.85 ITGB3 (0.54) ITGB3ITGA2BALDH1A1L3MBTL1F2R

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-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 ITGB3 52/4885ITGA2B 14/4885ALDH1A1 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.