SCHEMBL944231

SCHEMBL944231

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.50
BTK Q06187 1/20 0.50
EPHX1 P07099 1/20 0.48
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
CTSK P43235 2/20 0.47
DRD3 P35462 1/20 0.46
GAA P10253 2/20 0.45
NR1H2 P55055 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL17733738 1.00 DRD2 (0.50) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL344546 1.00 DRD2 (0.50) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL343563 1.00 DRD2 (0.50) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL25018554 0.94 BTK (0.56) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL1155174 0.90 BTK (0.55) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3901032 0.90 BTK (0.55) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3906349 0.90 BTK (0.55) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL3903151 0.90 BTK (0.55) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL19156343 0.90 BTK (0.55) DRD2BTKEPHX1KDM1AMAOB
SCHEMBL6510047 0.90 BTK (0.55) DRD2BTKEPHX1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695237-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2026-02-18 EP disclosed
EP-4688742-A1 CYCLOHEXYL OR HETEROCYCLOALKYL BETA-HYDROXY ALKYL AMINES FOR USE IN THE TREATMENT OF HYPERGLYCAEMIA AND DISORDERS CHARACTERISED BY HYPERGLYCAEMIA Atrogi AB (SE) 2026-02-11 EP disclosed
EP-4608810-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS Septerna, Inc. (US) 2025-09-03 EP disclosed
WO-2024213625-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2024-10-17 WO disclosed
WO-2024200768-A1 CYCLOHEXYL OR HETEROCYCLOALKYL BETA-HYDROXY ALKYL AMINES FOR USE IN THE TREATMENT OF HYPERGLYCAEMIA AND DISORDERS CHARACTERISED BY HYPERGLYCAEMIA ATROGI AB (SE) 2024-10-03 WO disclosed
WO-2024179393-A1 SULFOXIMINE COMPOUNDS AND APPLICATION THEREOF AS LRRK2 PROTEIN KINASE INHIBITORS 科辉智药(深圳)新药研究中心有限公司 2024-09-06 WO disclosed
WO-2024091498-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS SEPTERNA, INC. (US) 2024-05-02 WO disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 US disclosed
CN-1242993-C Heterocycle derivatives and drugs NIPPON SHINYAKU CO LTD (JP) 2006-02-22 CN disclosed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed
US-6794389-B2 Quinazoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2004-09-21 US disclosed
EP-1432693-A2 MCH RECEPTOR ANTAGONISTS Taisho Pharmaceutical Co. Ltd. (JP) 2004-06-30 EP disclosed
US-20030119855-A1 Heterocycle derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2003-06-26 US disclosed
CN-1422255-A Heterocycle derivatives and drugs NIPPON SHINYAKU CO LTD (JP) 2003-06-04 CN disclosed
EP-1306372-A1 HETEROCYCLE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2003-05-02 EP disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 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 (4 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-20030119855-A1 Heterocycle derivatives and drugs OPRL1, OPRK1, OPRD1 DRD2 382/4885BTK 673/4885EPHX1 1204/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B DRD2 1561/4885BTK 352/4885EPHX1 3742/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 DRD2 41/4885BTK 1667/4885EPHX1 504/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B DRD2 1561/4885BTK 352/4885EPHX1 3742/4885

“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.