Sugi Predict

Sugi Predict / Compounds / SCHEMBL4087769

SCHEMBL4087769

SCHEMBL4087769

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 15/20 1.00
▸ DRD3 P35462 13/20 1.00
▸ HTR1A P08908 3/20 0.74
▸ DRD4 P21917 3/20 0.74
▸ HTR2A P28223 3/20 0.74
▸ HTR2C P28335 3/20 0.74
▸ ADRA2A P08913 2/20 0.74
▸ HTR7 P34969 2/20 0.74
▸ ADRA1A P35348 2/20 0.74
▸ HRH1 P35367 2/20 0.74
▸ DRD1 P21728 2/20 0.74
▸ HTR2B P41595 2/20 0.74
▸ ABCB11 O95342 1/20 0.74
▸ CHRM2 P08172 1/20 0.74
▸ CHRM1 P11229 1/20 0.74
▸ DRD5 P21918 1/20 0.74
▸ KCNH2 Q12809 1/20 0.74
▸ CHRM4 P08173 1/20 0.73
▸ ADRB1 P08588 1/20 0.73
▸ CHRM5 P08912 1/20 0.73

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
SCHEMBL31278308 1.00 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL29502084 1.00 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL1318485 1.00 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3406830 0.96 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL3406828 0.96 DRD2 (1.00) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL22302947 0.92 DRD2 (0.85) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL29904319 0.92 DRD2 (0.85) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL30855330 0.92 DRD2 (0.85) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL30855327 0.90 DRD2 (0.82) DRD2DRD3HTR1ADRD4HTR2A
SCHEMBL30855322 0.90 DRD2 (0.82) DRD2DRD3HTR1ADRD4HTR2A

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
CN-111269199-B Preparation method of cariprazine 浙江京新药业股份有限公司 2022-04-08 — — CN claimed
CN-111333596-A Preparation method of cariprazine key intermediate 北京万全德众医药生物技术有限公司 2020-06-26 — — CN claimed
CN-111269199-A Preparation method of cariprazine 浙江京新药业股份有限公司 2020-06-12 — — CN claimed
CN-111170965-A Preparation method of novel cariprazine 北京万全德众医药生物技术有限公司 2020-05-19 — — CN claimed
EP-2358690-B1 PIPERAZINE SALT AND A PROCESS FOR THE PREPARATION THEREOF RICHTER GEDEON NYRT (HU) 2016-03-30 — — EP claimed
CN-112778183-B Nitrogen-containing ring derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-10 — — CN disclosed
CN-114262283-B Method for preparing kali lazine and intermediate thereof 苏州旺山旺水生物医药有限公司 2024-03-12 — — CN disclosed
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-01-05 — — US disclosed
EP-4056568-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-09-14 — — EP disclosed
CN-110115714-B Preparation method of cariprazine pharmaceutical composition 上虞京新药业有限公司 2022-05-24 — — CN disclosed
CN-111269199-B Preparation method of cariprazine 浙江京新药业股份有限公司 2022-04-08 — — CN disclosed
CN-111269199-B Preparation method of cariprazine 浙江京新药业股份有限公司 2022-04-08 — — CN disclosed
US-9718795-B2 1,4-cyclohexylamine derivatives and processes for the preparation thereof CHEMO RESEARCH, S.L. (ES) 2017-08-01 — — US disclosed
EP-3057942-B1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RES S L (ES) 2017-06-14 — — EP disclosed
US-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RESEARCH, S.L. (ES) 2016-09-08 — — US disclosed
US-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RESEARCH, S.L. (ES) 2016-09-08 — — US disclosed
WO-2015056164-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RESEARCH, S.L. (ES) 2015-04-23 — — WO disclosed
EP-1438302-B1 NEW SULFONAMIDE DERIVATIVES AS D3-RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2012-05-30 — — EP disclosed
US-7473692-B2 Sulfonamide derivatives as D3-receptor ligands RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-01-06 — — US disclosed
US-20050107397-A1 Sulfonamide derivatives as d3-receptor agonists RICHTER GEDEON VEGYESZETI GYAR RT. 2005-05-19 — — 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-20050107397-A1 Sulfonamide derivatives as d3-receptor agonists SLC6A3, DRD3, GPR3 DRD2 8/4885DRD3 2/4885HTR1A 86/4885
US-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CYP4Z1, PNMT, HTR5A DRD2 20/4885DRD3 57/4885HTR1A 10/4885
US-20230002364-A1 BENZOTHIOPHENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF GPER1, GABRQ, GPR39 DRD2 1191/4885DRD3 1822/4885HTR1A 167/4885

“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.