SCHEMBL93222

SCHEMBL93222

CN([C]=O)CCN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.41
HRH3 Q9Y5N1 3/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 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
SCHEMBL93191 0.88 HRH3 (0.46) SIGMAR1HRH3ALDH1A1POLBMAPT
SCHEMBL6652887 0.80 ALDH1A1 (0.43) SIGMAR1ALDH1A1POLBMAPT
SCHEMBL6446179 0.80 GLA (0.40) ALDH1A1TSHR
SCHEMBL93165 0.76 HRH3 (0.37) SIGMAR1HRH3ALDH1A1POLBMAPT
SCHEMBL10501124 0.75 L3MBTL1 (0.41) SIGMAR1HRH3ALDH1A1POLBMAPT
SCHEMBL24891390 0.75 HRH3 (0.48) SIGMAR1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL791946 0.75 SIGMAR1 (0.58) SIGMAR1SLC6A2SLC6A4SLC6A3GRIN2D
SCHEMBL24891389 0.75 HRH3 (0.48) SIGMAR1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL24891404 0.75 HRH3 (0.48) SIGMAR1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL9927903 0.75 HRH3 (0.48) SIGMAR1HRH3SLC6A2SLC6A4SLC6A3

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 44 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
CN-110062758-A BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS 奇斯药制品公司 2019-07-26 CN 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-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
EP-3728248-B1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2022-02-02 EP disclosed
US-11147812-B2 Tyrosine analogues derivatives as Rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-10-19 US disclosed
EP-3728246-B1 META TYROSINE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-09-22 EP disclosed
EP-3728247-B1 OXADIAZOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-09-22 EP disclosed
EP-2426488-B1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEM IND LTD (JP) 2016-04-20 EP disclosed
EP-2426123-B1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
US-8663990-B2 Measurement method utilizing internal standard substance WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-04 US disclosed
US-8546586-B2 Pyrazole-based cyanine dye containing quaternary ammonium cation WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
EP-2426488-A1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
EP-2426123-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION Wako Pure Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 US disclosed
US-20120043207-A1 MEASUREMENT METHOD UTILIZING INTERNAL STANDARD SUBSTANCE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-23 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 (7 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-11147812-B2 Tyrosine analogues derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA SIGMAR1 3791/4885HRH3 643/4885ALDH1A1 2989/4885
US-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT SIGMAR1 4129/4885HRH3 668/4885ALDH1A1 1519/4885
US-11332468-B2 Azaindole derivatives as Rho-kinase inhibitors ROCK1, ROCK2, RHOA SIGMAR1 3760/4885HRH3 495/4885ALDH1A1 2242/4885
US-20120046474-A1 PYRAZOLE-BASED CYANINE DYE CONTAINING QUATERNARY AMMONIUM CATION SLC43A1, HCN4, SLC7A5 SIGMAR1 57/4885HRH3 197/4885ALDH1A1 1828/4885
US-11578068-B2 Oxadiazole derivatives as Rho-Kinase Inhibitors ROCK1, ROCK2, RHOA SIGMAR1 3460/4885HRH3 710/4885ALDH1A1 1471/4885
US-11725007-B2 Meta tyrosine derivatives as rho-kinase inhibitors ROCK1, ROCK2, RHOA SIGMAR1 3649/4885HRH3 616/4885ALDH1A1 3053/4885
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT SIGMAR1 4129/4885HRH3 668/4885ALDH1A1 1519/4885

“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.