SCHEMBL803066

SCHEMBL803066

CC(C)(C)N1CCc2cccnc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.40
HTR2A P28223 12/20 0.40
DRD2 P14416 9/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTAFR P25105 2/20 0.39
ADAM17 P78536 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL803049 0.84 ADAM17 (0.45) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL21117698 0.79 ADAM17 (0.35) HTR1AHTR2ADRD2CNR1CNR2
SCHEMBL19699124 0.79 HTR1A (0.47) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL11947839 0.78 HTR1A (0.46) HTR1AHTR2ADRD2ADAM17
SCHEMBL12049049 0.77 MTNR1A (0.43) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL12230597 0.76 CRBN (0.38) ADAM17GSK3AGSK3B
SCHEMBL3399553 0.75 HTR1A (0.48) HTR1AHTR2ADRD2ADAM17
SCHEMBL25596768 0.75 HTR1A (0.45) HTR1AHTR2ADRD2CHRM2CHRM1
SCHEMBL123507 0.73 KMT2A (0.44) HTR2AHTR2CHRH1HTR2B
SCHEMBL27252004 0.71 HTR1A (0.48) HTR1AHTR2ADRD2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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 (9 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HTR1A 610/4885HTR2A 1059/4885DRD2 520/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB HTR1A 18/4885HTR2A 85/4885DRD2 36/4885
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 HTR1A 842/4885HTR2A 1936/4885DRD2 299/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 HTR1A 110/4885HTR2A 713/4885DRD2 2653/4885
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ACE, SARS1, ACE2 HTR1A 3594/4885HTR2A 4321/4885DRD2 4629/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 HTR1A 593/4885HTR2A 1420/4885DRD2 300/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTR1A 610/4885HTR2A 1059/4885DRD2 520/4885
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ACE, ACE2, PKD1 HTR1A 3240/4885HTR2A 4011/4885DRD2 4261/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HTR1A 94/4885HTR2A 475/4885DRD2 64/4885

“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.