SCHEMBL2819780

SCHEMBL2819780

COC(=O)c1cncn1C1c2ccccc2CCC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.45
MAPK1 P28482 1/20 0.40
IDO1 P14902 5/20 0.34
CYP3A4 P08684 2/20 0.34
TDO2 P48775 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
CYP11B1 P15538 1/20 0.33
POLB P06746 1/20 0.33
NPBWR1 P48145 1/20 0.32
CCR6 P51684 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL2822367 1.00 CYP11B2 (0.45) CYP11B2MAPK1IDO1CYP3A4TDO2
SCHEMBL2819775 1.00 CYP11B2 (0.45) CYP11B2MAPK1IDO1CYP3A4TDO2
SCHEMBL9496956 0.89 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP3A4MAPT
SCHEMBL29408788 0.89 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP3A4MAPT
SCHEMBL9493756 0.89 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP3A4MAPT
SCHEMBL68341 0.89 CYP11B2 (0.47) CYP11B2MAPK1IDO1CYP3A4MAPT
SCHEMBL10648754 0.87 CYP11B2 (0.41) CYP11B2IDO1CYP3A4TDO2
SCHEMBL9533729 0.83 IDO1 (0.34) CYP11B2IDO1CYP3A4TDO2CCR6
SCHEMBL10387930 0.82 CYP11B2 (0.45) CYP11B2MAPK1IDO1CYP3A4TDO2
SCHEMBL10646230 0.82 CYP11B2 (0.38) CYP11B2IDO1CYP3A4TDO2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207563-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-31 EP claimed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP claimed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
EP-0207563-B1 A METHOD FOR CONTROLLING WEEDS JANSSEN PHARMACEUTICA N.V. (BE) 1991-07-31 EP disclosed
US-5000777-A Imidazole derivatives CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed
US-4994103-A Herbicides; rice, corn JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-19 US disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
US-4898607-A Herbicidal imidazole derivatives CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
US-4878940-A SELECTIVE, FOR USE WITH CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-07 US disclosed
EP-0289066-A1 1,5-Substituted 1H-imidazoles JANSSEN PHARMACEUTICA N.V. (BE) 1988-11-02 EP disclosed
EP-0277384-A2 1H-imidazole-5-carboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-08-10 EP disclosed
EP-0207563-A2 A method for controlling weeds JANSSEN PHARMACEUTICA N.V. (BE) 1987-01-07 EP 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 (1 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885MAPK1 977/4885IDO1 1361/4885

“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.