SCHEMBL2604739

SCHEMBL2604739

CNC1C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HSD11B1 P28845 2/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL12408108 1.00 EPHX2 (0.46) EPHX2CA1CA2L3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL28783872 0.97 EPHX2 (0.44) EPHX2CA1CA2L3MBTL1HSD17B10
SCHEMBL14573046 0.87 EPHX2 (0.38) EPHX2CA1CA2L3MBTL1HSD17B10
SCHEMBL11152783 0.77 EPHX2 (0.42) EPHX2CA1CA2L3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL11158221 0.75 EPHX2 (0.41) EPHX2CA1CA2L3MBTL1HSD17B10
SCHEMBL1072726 0.73 EPHX2 (0.50) EPHX2CA1CA2L3MBTL1HSD17B10
SCHEMBL11148891 0.73 EPHX2 (0.50) EPHX2CA1CA2L3MBTL1HSD17B10
SCHEMBL14473378 0.71 CYP2C9 (0.42) EPHX2L3MBTL1HSD17B10CYP2C9
Adamantane SCHEMBL28289781 0.71 GRIN2D (0.44) EPHX2CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL11156725 0.71 EPHX2 (0.48) EPHX2CA1CA2L3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143962-A1 Adamantyl Derivatives as Therapeutic Agents WOMEN & INFANTS' HOSPITAL OF RHODE ISLAND (US) 2013-06-06 US claimed
US-20260092039-A1 DUAL INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE UNIV BARCELONA (ES) 2026-04-02 US disclosed
EP-4676916-A1 DUAL INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Universitat De Barcelona (ES) 2026-01-14 EP disclosed
WO-2024184305-A1 DUAL INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE UNIVERSITAT DE BARCELONA (ES) 2024-09-12 WO disclosed
US-20240285611-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. (US) 2024-08-29 US disclosed
US-20230354690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-02 US disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-11786519-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2023-10-17 US disclosed
US-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-06-29 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0606222-A1 CYCLIC HEXAPEPTIDES AS TACHYQUININ ANTAGONISTS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1994-07-20 EP disclosed
CN-1081676-A The indoles and the indazole derivatives that are used for the treatment and the prevention of cerebral disorders, their preparation and application SANKYO CO (JP) 1994-02-09 CN disclosed
WO-1993003059-A1 CYCLIC HEXAPEPTIDES AS TACHYQUININ ANTAGONISTS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1993-02-18 WO disclosed
US-4491671-A Process for the preparation of N-substituted imido-dicarboxylic acid diaryl esters BAYER AKTIENGESELLSCHAFT (DE) 1985-01-01 US disclosed
US-4348331-A FROM THE HYDROCHLORIDE OF A PRIMARY AMINE AND AN ARYL ESTER HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0029658-A1 Salts of dihalo-2-quinoxaline carboxylic acids, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1981-06-03 EP disclosed
US-4252954-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-02-24 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-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF TNF, GCDH, LITAF EPHX2 2347/4885CA1 1446/4885CA2 1246/4885
US-20130143962-A1 Adamantyl Derivatives as Therapeutic Agents MCL1, TOP2A, TP53 EPHX2 1901/4885CA1 476/4885CA2 2069/4885
US-20240285611-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BAX, BCL2, BCL3 EPHX2 3912/4885CA1 1452/4885CA2 3184/4885
US-20230354690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NR1D2, NR1D1, NR1H2 EPHX2 1507/4885CA1 4585/4885CA2 4128/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 EPHX2 4541/4885CA1 3437/4885CA2 2956/4885
US-20260092039-A1 DUAL INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE2, BACE1, GLS2 EPHX2 57/4885CA1 354/4885CA2 433/4885
US-11786519-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases BAX, BCL2, BCL3 EPHX2 3912/4885CA1 1452/4885CA2 3184/4885

“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.