SCHEMBL3458741

SCHEMBL3458741

OC1(c2ccccc2)CNCCO1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
CYP1A2 P05177 1/20 0.47
OPRM1 P35372 1/20 0.42
SLC6A2 P23975 9/20 0.39
SLC6A3 Q01959 4/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A4 P31645 8/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL20275818 0.80 SLC6A2 (0.49) HTR2ACYP1A2OPRM1SLC6A2SLC6A3
SCHEMBL10648670 0.77 SLC6A2 (0.38) HTR2ACYP1A2SLC6A2SLC6A3SLC6A4
SCHEMBL977558 0.77 HTR2A (0.47) HTR2AOPRM1SLC6A2SLC6A3CHRNB2
SCHEMBL11745922 0.76 SLC6A2 (0.38) CYP1A2SLC6A2SLC6A3SLC6A4
SCHEMBL3457864 0.75 SLC6A2 (0.41) SLC6A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL27794398 0.74 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL1334863 0.74 HTR2A (0.44) HTR2ACYP1A2OPRM1SLC6A2SLC6A3
SCHEMBL136222 0.74 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3CHRNB2
SCHEMBL10880855 0.74 HTR2A (0.44) HTR2AOPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL29240149 0.74 HTR2A (0.41) HTR2AOPRM1SLC6A2SLC6A3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170958-B Preparation method of hydroxybenzomorph 浙江鼎龙科技股份有限公司 2021-08-10 CN claimed
CN-111170958-A Preparation method of hydroxybenzomorph 浙江鼎龙科技有限公司 2020-05-19 CN claimed
US-4576944-A STIMULANTS, ANTIDEPRESSANTS LABORATOIRE L. LAFON (FR) 1986-03-18 US claimed
CN-114942280-A Method for content determination and mass spectrum confirmation of 12 hair dyes in cosmetics 上海市食品药品检验研究院 2022-08-26 CN disclosed
CN-111170958-B Preparation method of hydroxybenzomorph 浙江鼎龙科技股份有限公司 2021-08-10 CN disclosed
CN-111170958-B Preparation method of hydroxybenzomorph 浙江鼎龙科技股份有限公司 2021-08-10 CN disclosed
CN-111170958-A Preparation method of hydroxybenzomorph 浙江鼎龙科技有限公司 2020-05-19 CN disclosed
CN-111170958-A Preparation method of hydroxybenzomorph 浙江鼎龙科技有限公司 2020-05-19 CN disclosed
CN-109134297-A One inter-species di alkylamino group phenol is continuously synthesizing to method 江苏迪安化工有限公司 2019-01-04 CN disclosed
CN-109134281-A Between di alkylamino group phenol synthetic method 浙江山峪科技股份有限公司 2019-01-04 CN disclosed
CN-109020827-A The synthetic method of one inter-species di alkylamino group phenol 浙江山峪科技股份有限公司 2018-12-18 CN disclosed
US-20030100479-A1 Gene polymorphisms and response to treatment DOW DAVID J (GB) 2003-05-29 US disclosed
WO-2003018843-A1 GENE POLYMORPHISMS AND RESPONSE TO TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2003-03-06 WO disclosed
US-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2003-01-09 US disclosed
CN-1074413-C Novel benzimidazole derivatives having CGMP-phosphodisterase inhibiting activity OTSUKA PHARMA CO LTD (JP) 2001-11-07 CN disclosed
EP-0779887-B1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODIESTERASE INHIBITING ACTIVITY OTSUKA PHARMA CO LTD (JP) 2001-05-23 EP disclosed
US-5998437-A ARTERIOSCLEROSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-12-07 US disclosed
CN-1158129-A Novel benzimidazole derivatives having CGMP-phosphodisterase inhibiting activity OTSUKA PHARMA CO LTD (JP) 1997-08-27 CN disclosed
EP-0779887-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 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 (2 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-20030100479-A1 Gene polymorphisms and response to treatment SLC6A2, SLC6A4, SLC6A3 HTR2A 23/4885CYP1A2 504/4885OPRM1 51/4885
US-20030008832-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 HTR2A 4451/4885CYP1A2 2018/4885OPRM1 4826/4885

“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.