SCHEMBL16655846

SCHEMBL16655846

CN(C)C(=O)N[C@H]1CC[C@H](CCO)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.49
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
DRD3 P35462 3/20 0.44
ADRA2A P08913 2/20 0.44
DRD4 P21917 2/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 2/20 0.44
ADRA1A P35348 2/20 0.44
HRH1 P35367 2/20 0.44
ABCB11 O95342 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHRM4 P08173 1/20 0.44
ADRB1 P08588 1/20 0.44
CHRM5 P08912 1/20 0.44

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
SCHEMBL16654377 1.00 DRD2 (0.49) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL28006699 0.86 DRD2 (0.49) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL18073602 0.86 DRD2 (0.49) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL28006700 0.86 DRD2 (0.49) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL18950691 0.85 DRD2 (0.47) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL18950688 0.85 DRD2 (0.47) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL21729939 0.84 DRD2 (0.48) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL28006465 0.84 DRD2 (0.48) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL29324645 0.84 DRD2 (0.48) DRD2HTR1AHTR2ADRD3ADRA2A
SCHEMBL28006466 0.84 DRD2 (0.48) DRD2HTR1AHTR2ADRD3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115806510-A Synthetic method of 3- (trans) -4- (2-hydroxyethyl) cyclohexyl-1, 1-dimethylurea 成都福柯斯医药技术有限公司 2023-03-17 CN claimed
CN-115806510-B Synthesis method of 3-trans-4- (2-hydroxyethyl) cyclohexyl-1, 1-dimethylurea 成都福柯斯医药技术有限公司 2023-04-21 CN disclosed
CN-115806510-B Synthesis method of 3-trans-4- (2-hydroxyethyl) cyclohexyl-1, 1-dimethylurea 成都福柯斯医药技术有限公司 2023-04-21 CN disclosed
CN-115806510-A Synthetic method of 3- (trans) -4- (2-hydroxyethyl) cyclohexyl-1, 1-dimethylurea 成都福柯斯医药技术有限公司 2023-03-17 CN disclosed
CN-115806510-A Synthetic method of 3- (trans) -4- (2-hydroxyethyl) cyclohexyl-1, 1-dimethylurea 成都福柯斯医药技术有限公司 2023-03-17 CN disclosed
CN-115806510-A Synthetic method of 3- (trans) -4- (2-hydroxyethyl) cyclohexyl-1, 1-dimethylurea 成都福柯斯医药技术有限公司 2023-03-17 CN disclosed
WO-2020034946-A1 METHOD FOR PREPARING CYCLOHEXANE DERIVATIVE 浙江京新药业股份有限公司 2020-02-20 WO disclosed
US-9718795-B2 1,4-cyclohexylamine derivatives and processes for the preparation thereof CHEMO RESEARCH, S.L. (ES) 2017-08-01 US disclosed
US-9718795-B2 1,4-cyclohexylamine derivatives and processes for the preparation thereof CHEMO RESEARCH, S.L. (ES) 2017-08-01 US 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
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
US-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RESEARCH, S.L. (ES) 2016-09-08 US disclosed
EP-3057942-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Chemo Research, S.L. (ES) 2016-08-24 EP disclosed
WO-2015056164-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RESEARCH, S.L. (ES) 2015-04-23 WO disclosed
WO-2015056164-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RESEARCH, S.L. (ES) 2015-04-23 WO disclosed
CN-104496854-A 3-cyclohexyl-1,1-dimethylurea compound as well as preparation method and application thereof SHANGHAI INST PHARM INDUSTRY 2015-04-08 CN 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 (1 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-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CYP4Z1, PNMT, HTR5A DRD2 20/4885HTR1A 10/4885HTR2A 19/4885

“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.