SCHEMBL272589

SCHEMBL272589

O=C(N[C@H](Cc1ccccc1)CN(Cc1cccnc1)C[C@@H](Cc1ccccc1)NC(=O)OCc1cncs1)OCc1cncs1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 20/20 0.87

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
SCHEMBL272588 1.00 CYP3A4 (0.87) CYP3A4
SCHEMBL271125 0.93 CYP3A4 (0.84) CYP3A4
SCHEMBL271852 0.93 CYP3A4 (0.84) CYP3A4
SCHEMBL271851 0.93 CYP3A4 (0.84) CYP3A4
SCHEMBL272603 0.91 CYP3A4 (0.87) CYP3A4
SCHEMBL272602 0.91 CYP3A4 (0.87) CYP3A4
SCHEMBL271657 0.86 CYP3A4 (0.83) CYP3A4
SCHEMBL2972805 0.86 CYP3A4 (0.83) CYP3A4
SCHEMBL271656 0.86 CYP3A4 (0.83) CYP3A4
SCHEMBL5943233 0.86 CYP3A4 (0.74) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 US claimed
US-8741938-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBVIE INC (US) 2013-11-28 US disclosed
US-8524753-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2013-09-03 US disclosed
US-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2012-07-19 US disclosed
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2010-11-04 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 US 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 (4 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-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 CYP3A4 18/4885

“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.