SCHEMBL893678

SCHEMBL893678

CC(C)(C)OC(=O)N(CCCN(Cc1ccccc1)C(=O)OCc1cncs1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.55
CYP2D6 P10635 3/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL893371 0.94 CYP3A4 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL893103 0.93 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL893063 0.92 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL893112 0.89 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL4248044 0.89 CYP3A4 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL893180 0.89 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL893098 0.89 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL893151 0.88 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL893429 0.87 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL893533 0.87 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP claimed
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 claimed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 WO claimed
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 CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885
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 CYP3A4 1/4885CYP2D6 7/4885CYP2C9 5/4885
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885

“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.