SCHEMBL892842

SCHEMBL892842

[CH](c1ccccc1)n1ccnn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.42
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADRA2A P08913 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
CYP1A1 P04798 1/20 0.31

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
SCHEMBL28901827 0.80 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2ADRA2AMAOA
SCHEMBL7155571 0.80 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2ADRA2AMAOA
SCHEMBL5950800 0.71 NOTUM (0.45)
SCHEMBL29435370 0.71 CYP19A1 (0.43) CYP19A1CYP11B2CYP1A1
SCHEMBL3591643 0.71 SMN1; SMN2 (0.40)
SCHEMBL11817198 0.67 CYP19A1 (0.54) CYP19A1CYP11B2CYP1A1
SCHEMBL9015530 0.62
SCHEMBL14384895 0.62
SCHEMBL2847392 0.62 ALDH1A1 (0.39) CYP19A1MAOAMAOB
SCHEMBL1171018 0.62

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
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-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2465856-A2 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
EP-1585521-B8 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-03-25 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
EP-1585521-A2 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2005-10-19 EP disclosed
WO-2004056365-A2 DERIVATIVES OF ARYL-QUINAZOLINE/ARYL-2AMINO-PHENYL METHANONE WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2004-07-08 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 CYP19A1 49/4885CYP11B1 25/4885CYP11B2 33/4885
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 CYP19A1 65/4885CYP11B1 36/4885CYP11B2 51/4885
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP19A1 49/4885CYP11B1 25/4885CYP11B2 33/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP19A1 49/4885CYP11B1 25/4885CYP11B2 33/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR CYP19A1 49/4885CYP11B1 25/4885CYP11B2 33/4885

“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.