SCHEMBL695067

SCHEMBL695067

[c]1ccc(-c2cccc3ncccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
ACVR1 Q04771 4/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
ERN1 O75460 4/20 0.45
POLB P06746 1/20 0.41
ALOX15 P16050 2/20 0.41
P2RX7 Q99572 1/20 0.40
GRM4 Q14833 1/20 0.39
MCL1 Q07820 1/20 0.39
CYP3A4 P08684 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3974731 0.87 GRM4 (0.49) CA12CA1CA2CA9ACVR1
SCHEMBL4658401 0.83 CA12 (0.59) CA12CA1CA2CA9ACVR1
SCHEMBL9669763 0.81 CA12 (0.58) CA12CA1CA2CA9ACVR1
SCHEMBL17962255 0.81 CA12 (0.48) CA12CA1CA2CA9ACVR1
SCHEMBL17334527 0.81 CA12 (0.57) CA12CA1CA2CA9ACVR1
SCHEMBL198641 0.80 MAPT (0.64) CA12CA1CA2CA9ACVR1
SCHEMBL12074247 0.80 CA12 (0.65) CA12CA1CA2CA9ACVR1
SCHEMBL28603628 0.79 GPR3 (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL8011323 0.79 CA12 (0.59) CA12CA1CA2CA9ACVR1
SCHEMBL12386951 0.79 CA12 (0.59) CA12CA1CA2CA9ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-8455476-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-06-04 US claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-6124460-A Isoquinuclidine derivatives, method of manufacturing the same and therapeutic agents for hypercholesterolemia containing these compounds KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) 2000-09-26 US claimed
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-07-18 US disclosed
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
CN-101423757-A High performance electroluminescent organic material and application thereof in organic EL device UNIV JILIN (CN) 2009-05-06 CN disclosed
US-6124460-A Isoquinuclidine derivatives, method of manufacturing the same and therapeutic agents for hypercholesterolemia containing these compounds KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) 2000-09-26 US disclosed
US-6124460-A Isoquinuclidine derivatives, method of manufacturing the same and therapeutic agents for hypercholesterolemia containing these compounds KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) 2000-09-26 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 (3 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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP CA12 2840/4885CA1 4325/4885CA2 2173/4885
US-20190216804-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF FIBROSIS MGLL, LIPA, PNLIP CA12 2658/4885CA1 4277/4885CA2 2127/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA CA12 4272/4885CA1 4624/4885CA2 2746/4885

“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.