SCHEMBL5490064

SCHEMBL5490064

O=C1OCC/C=C\CCOC(=O)[C@H]2CCCN2C(=O)CCCCC(=O)N2CCC[C@H]12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2D6 P10635 2/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ FKBP4 Q02790 3/20 0.41
▸ CYP2C9 P11712 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MGLL Q99685 1/20 0.35
▸ PARP1 P09874 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL5490071 1.00 CYP2C19 (0.45) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL5491076 0.93 CYP2C19 (0.44) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL5491087 0.93 CYP2C19 (0.44) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL15624125 0.91 FKBP4 (0.44) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL15624120 0.91 FKBP4 (0.44) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL15624155 0.90 FKBP4 (0.46) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL5490069 0.87 FKBP4 (0.50) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL5491513 0.86 FKBP4 (0.52) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL5491781 0.86 FKBP4 (0.52) CYP2C19MAPTCYP2D6CYP3A4FKBP4
SCHEMBL5492566 0.84 CYP2C19 (0.47) CYP2C19MAPTCYP2D6CYP3A4FKBP4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1743884-A1 Progrugs to d-prolines F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 — — EP claimed
US-6903129-B2 D-proline prodrugs HOFFMAN-LA ROCHE INC. (US) 2005-06-07 — — US claimed
US-20030134891-A1 New D-proline prodrugs PENTRAXIN THERAPEUTICS LTD. (GB) 2003-07-17 — — US claimed
EP-1743884-A1 Progrugs to d-prolines F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 — — EP disclosed
US-6903129-B2 D-proline prodrugs HOFFMAN-LA ROCHE INC. (US) 2005-06-07 — — US disclosed
EP-1458680-A1 PRODRUGS TO D-PROLINES F. Hoffmann-La Roche AG (CH) 2004-09-22 — — EP disclosed
US-20030134891-A1 New D-proline prodrugs PENTRAXIN THERAPEUTICS LTD. (GB) 2003-07-17 — — US disclosed
WO-2003051836-A1 PRODRUGS TO D-PROLINES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 — — 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-20030134891-A1 New D-proline prodrugs PCNP, PREP, APP CYP2C19 1676/4885MAPT 1923/4885CYP2D6 1078/4885

“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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