SCHEMBL272157

SCHEMBL272157

CC(C)(C)OC(=O)NC(Cc1ccccc1)CN1CCN(CC(Cc2ccccc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
APP P05067 4/20 0.53
CTSS P25774 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
ACE P12821 2/20 0.50
AKT1 P31749 1/20 0.48
SYK P43405 1/20 0.48
KMT2A Q03164 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
SCN9A Q15858 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL13244198 0.95 ATM (0.59) ATMAPPCTSSCTSLCTSB
SCHEMBL30757694 0.94 ATM (0.60) ATMAPPCTSSCTSLCTSB
SCHEMBL31404216 0.94 ATM (0.60) ATMAPPCTSSCTSLCTSB
SCHEMBL13244199 0.92 ATM (0.58) ATMAPPCTSSCTSLCTSB
SCHEMBL9483781 0.87 ATM (0.50) ATMAPPCTSSCTSKKMT2A
SCHEMBL8500536 0.86 ATM (0.57) ATMAPPCTSSCTSLCTSB
SCHEMBL15159951 0.84 ATM (0.73) ATMAPPCTSSCTSLCTSB
SCHEMBL7425378 0.84 GAA (0.53) ATMACEKMT2A
SCHEMBL3857020 0.83 HRH2 (0.53) ATMCYP3A4
SCHEMBL3838532 0.83 HRH2 (0.53) ATMCYP3A4

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
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 ATM 4747/4885APP 4332/4885CTSS 2351/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885APP 4332/4885CTSS 2351/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885APP 4332/4885CTSS 2351/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 ATM 4747/4885APP 4332/4885CTSS 2351/4885

“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.