SCHEMBL771123

SCHEMBL771123

CN1CCC(N(C)[C]=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.40
HTR2C P28335 16/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 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
SCHEMBL773210 0.89 HTR2A (0.35) HTR2AHTR2CL3MBTL1MEN1KMT2A
SCHEMBL273136 0.80
SCHEMBL19127058 0.79 SIGMAR1 (0.38)
SCHEMBL967158 0.78
SCHEMBL3948389 0.77 HTR2A (0.36) HTR2AHTR2CL3MBTL1MEN1KMT2A
SCHEMBL3055438 0.77 NOS2 (0.39) HTR2AHTR2CL3MBTL1MEN1KMT2A
SCHEMBL19127865 0.76
SCHEMBL304640 0.75
SCHEMBL772283 0.75 TP53 (0.41)
SCHEMBL771639 0.75 EPHX2 (0.40) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-10 US claimed
EP-3558999-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2019-10-30 EP claimed
EP-3402791-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2018-11-21 EP claimed
WO-2018115383-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-28 WO claimed
US-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTISI S.p.A. (IT) 2018-06-21 US claimed
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2018-06-19 US claimed
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 US claimed
WO-2017123542-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-07-20 WO claimed
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2011-03-10 US claimed
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2010-03-04 US claimed
EP-2124954-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2009-12-02 EP claimed
WO-2008094737-A2 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES IRM LLC (BM) 2008-08-07 WO claimed
EP-1891069-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B]PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS AstraZeneca AB (SE) 2008-02-27 EP claimed
WO-2006125958-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4 , 5B] PYRIDINE/ PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS ASTRAZENECA AB (SE) 2006-11-30 WO claimed
US-11725007-B2 Meta tyrosine derivatives as rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2023-08-15 US disclosed
US-11578068-B2 Oxadiazole derivatives as Rho-Kinase Inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2023-02-14 US disclosed
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2022-05-17 US disclosed
WO-2003104205-A1 ARYLOXIMES MERCK PATENT GMBH (DE) 2003-12-18 WO disclosed
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 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 (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-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT HTR2A 4364/4885HTR2C 4076/4885L3MBTL1 4650/4885
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA HTR2A 2869/4885HTR2C 2382/4885L3MBTL1 4771/4885
US-20170233401-A1 SUBSTITUTED THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS AR, SHBG, NR5A1 HTR2A 208/4885HTR2C 112/4885L3MBTL1 2252/4885
US-10000502-B2 Substituted thiohydantoin derivatives as androgen receptor antagonists AR, SHBG, NR5A1 HTR2A 208/4885HTR2C 112/4885L3MBTL1 2252/4885
US-20100056494-A1 PURINE COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FOR THE TREATMENT OF PLASMODIUM RELATED DISEASES ADK, PNP, DCK HTR2A 3377/4885HTR2C 3402/4885L3MBTL1 1957/4885
US-11578068-B2 Oxadiazole derivatives as Rho-Kinase Inhibitors ROCK1, ROCK2, RHOA HTR2A 4725/4885HTR2C 4266/4885L3MBTL1 4750/4885
US-20110059941-A1 2-PHENYL SUBSTITUTED IMIDAZOL [4,5B] PYRIDINE/PYRAZINE AND PURINE DERIVATIVES AS GLUCOKINASE MODULATORS GCK, PDXK, GCKR HTR2A 981/4885HTR2C 739/4885L3MBTL1 4584/4885
US-11725007-B2 Meta tyrosine derivatives as rho-kinase inhibitors ROCK1, ROCK2, RHOA HTR2A 3286/4885HTR2C 3037/4885L3MBTL1 4551/4885
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT HTR2A 4364/4885HTR2C 4076/4885L3MBTL1 4650/4885

“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.