SCHEMBL892964

SCHEMBL892964

CC(C)CC(N)C(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.57
PSEN2 P49810 5/20 0.57
APH1B Q8WW43 5/20 0.57
NCSTN Q92542 5/20 0.57
APH1A Q96BI3 5/20 0.57
PSENEN Q9NZ42 5/20 0.57
APP P05067 1/20 0.57
KLK5 Q9Y337 2/20 0.55
REN P00797 6/20 0.52
ATM Q13315 1/20 0.51
CTSD P07339 2/20 0.49
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49

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
SCHEMBL7173287 1.00 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6446553 0.90 KLK5 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7313404 0.90 KLK5 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7308748 0.90 KLK5 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5709671 0.89 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9282508 0.89 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6076588 0.88 KLK5 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6931365 0.88 KLK5 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7331930 0.88 KLK5 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6446144 0.88 KLK5 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A

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-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US disclosed
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP disclosed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 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 (5 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR PSEN1 2820/4885PSEN2 3550/4885APH1B 3290/4885
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example CYP3A4, CYP3A5, CYP2B6 PSEN1 2563/4885PSEN2 3900/4885APH1B 962/4885
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR PSEN1 2820/4885PSEN2 3550/4885APH1B 3290/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR PSEN1 2820/4885PSEN2 3550/4885APH1B 3290/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR PSEN1 2820/4885PSEN2 3550/4885APH1B 3290/4885

“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.