SCHEMBL786189

SCHEMBL786189

CC(C)(C)OC(=O)N1CCc2nc(S(C)(=O)=O)ncc2C1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
ESR2 Q92731 1/20 0.46
NR1H2 P55055 2/20 0.46
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
GPR119 Q8TDV5 9/20 0.42
PDGFRB P09619 1/20 0.42
MAPK1 P28482 1/20 0.40
SCN9A Q15858 1/20 0.40
ENPP2 Q13822 1/20 0.40
GCK P35557 1/20 0.39

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
SCHEMBL741206 0.89 MAPT (0.51) MAPTESR2NR1H2DDB1CRBN
SCHEMBL9954967 0.84 MAPT (0.46) MAPTPDGFRBENPP2
SCHEMBL30378007 0.83 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL4869824 0.83 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL25574538 0.83 MAPT (0.67) MAPTESR2NR1H2DDB1CRBN
SCHEMBL785054 0.83 MAPT (0.43) MAPTPDGFRBENPP2
SCHEMBL21041389 0.82 MAPT (0.53) MAPTESR2NR1H2DDB1CRBN
SCHEMBL17183931 0.82 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL3530060 0.82 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN
SCHEMBL19475563 0.82 MAPT (0.65) MAPTESR2NR1H2DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2022-05-31 US disclosed
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-01-14 US disclosed
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect SHIONOGI & CO., LTD. (JP) 2020-12-22 US disclosed
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2019-05-30 US disclosed
EP-2945623-B1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2018-09-05 EP disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-9695178-B2 6-(2-pyridyl)-7,8-dihydro-5H-pyrido[4,3-D]pyrimidine analogs as hedgehog pathway signaling inhibitors and therapeutic applications thereof SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2017-07-04 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 US disclosed
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS, INC. (CN) 2016-01-28 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (8 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-11345716-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 MAPT 4297/4885ESR2 745/4885NR1H2 879/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S MAPT 4390/4885ESR2 169/4885NR1H2 1039/4885
US-10870660-B2 Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect DRD3, DRD4, DRD2 MAPT 4297/4885ESR2 745/4885NR1H2 879/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 MAPT 4665/4885ESR2 2616/4885NR1H2 1095/4885
US-20210009607-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 MAPT 4297/4885ESR2 745/4885NR1H2 879/4885
US-20160024095-A1 HEDGEHOG PATHWAY SIGNALING INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO MAPT 3091/4885ESR2 735/4885NR1H2 608/4885
US-20190161501-A1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 ANTAGONISTIC EFFECT DRD3, DRD4, DRD2 MAPT 4297/4885ESR2 745/4885NR1H2 879/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 MAPT 3149/4885ESR2 1409/4885NR1H2 1326/4885

“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.