SCHEMBL541920

SCHEMBL541920

CN1CCC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 1.00
DRD4 P21917 1/20 1.00
KCNH2 Q12809 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2A Q12879 2/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
CYP2D6 P10635 1/20 0.53
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A4 P31645 2/20 0.41
SLC22A1 O15245 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL11738164 0.87 OPRM1 (0.77) OPRM1DRD4KCNH2GRIN1GRIN2A
Hydrochloric Acid SCHEMBL11747049 0.85 OPRM1 (0.74) OPRM1DRD4KCNH2GRIN1GRIN2A
SCHEMBL12367138 0.82 OPRM1 (0.69) OPRM1DRD4KCNH2GRIN1GRIN2A
SCHEMBL24119449 0.78 OPRM1 (0.63) OPRM1DRD4KCNH2GRIN1GRIN2A
SCHEMBL8931777 0.78 OPRM1 (0.63) OPRM1DRD4KCNH2GRIN1GRIN2A
SCHEMBL27099783 0.78 OPRM1 (0.63) OPRM1DRD4KCNH2GRIN1GRIN2A
SCHEMBL13589214 0.77 OPRM1 (0.61) OPRM1DRD4KCNH2GRIN1GRIN2A
SCHEMBL1205908 0.76 OPRM1 (0.61) OPRM1DRD4ALDH1A1OPRD1OPRK1
SCHEMBL14431893 0.76 OPRM1 (0.61) OPRM1DRD4KCNH2GRIN1GRIN2A
SCHEMBL13713106 0.76 OPRM1 (0.61) OPRM1DRD4KCNH2CHRM2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN claimed
CN-113527272-A Synthesis method of Tegolazan 西安淳甄新材料有限公司 2021-10-22 CN claimed
CN-118871429-A Crystal forms of isochroman compounds 深圳扬厉医药技术有限公司 2024-10-29 CN disclosed
CN-117616023-A BCL-2 or BCL-2/BCL-XL modulators and uses thereof 爱新医药科技(香港)有限公司 2024-02-27 CN disclosed
WO-2023169462-A1 CRYSTAL FORM OF ISOCHROMAN COMPOUND 深圳扬厉医药技术有限公司 2023-09-14 WO disclosed
CN-113527272-B Synthetic method of tergolian prazan 西安淳甄新材料有限公司 2023-07-21 CN disclosed
WO-2022187206-A1 DUAL-TARGET MU OPIOID AND DOPAMINE D3 RECEPTORS LIGANDS; PREPARATION AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-09-09 WO disclosed
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed
CN-114450271-A Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2022-05-06 CN disclosed
CN-110352006-B Picolinamides as fungicides 美国陶氏益农公司 2022-02-18 CN disclosed
CN-108290881-B Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2021-12-07 CN disclosed
US-20050261374-A1 Process for the preparation of prostaglandins and analogues thereof RESOLUTION CHEMICALS LIMITED 2005-11-24 US disclosed
US-5696050-A APPLYING TO CROP PLANT, SEED OR SURROUNDING SOIL OR WATER ANTIDOTAL AMOUNT OF PLANT SAFENING AGENT AMERICAN CYANAMID COMPANY (US) 1997-12-09 US disclosed
EP-0775118-A1 BENZIMIDAZOLE DERIVATIVES HAVING DOPAMINERGIC ACTIVITY PFIZER INC. (US) 1997-05-28 EP disclosed
EP-0613618-B1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID CO (US) 1997-04-16 EP disclosed
EP-0750617-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1997-01-02 EP disclosed
US-5516918-A PLANT SAFTENING AGENTS USING BENZOPYRAN-4-ACETIC ACIDS OR BENZOTHIOPYRAN-4-ACETIC ACIDS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
WO-1995025104-A1 NOVEL HETEROCYCLIC ETHANOLAMINE DERIVATIVES WITH BETA-ADRENORECEPTOR AGONISTIC ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 1995-09-21 WO disclosed
US-5407897-A Plant safening agents AMERICAN CYANAMID COMPANY (US) 1995-04-18 US disclosed
EP-0613618-A1 Method for safening herbicides in crops using substituted benzopyran and tetrahydronaphthalene compounds AMERICAN CYANAMID COMPANY (US) 1994-09-07 EP 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-20050261374-A1 Process for the preparation of prostaglandins and analogues thereof PTGIS, PTGES, PTGES2 OPRM1 2038/4885DRD4 2626/4885KCNH2 2715/4885

“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.