SCHEMBL2864044

SCHEMBL2864044

COC(=O)CC1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
NCF1 P14598 1/20 0.43
LTA4H P09960 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL10280096 0.90 BRD4 (0.53) BRD4LTA4HSMN1; SMN2SLC6A2SLC6A4
SCHEMBL2036054 0.83
SCHEMBL24197361 0.83 BRD4 (0.50) BRD4LTA4HSMN1; SMN2
SCHEMBL26647720 0.83 BRD4 (0.50) BRD4LTA4HSMN1; SMN2
SCHEMBL15360236 0.82 BRD4 (0.49) BRD4LTA4HSMN1; SMN2
SCHEMBL12156725 0.82 SMN1; SMN2 (0.47) BRD4LTA4HSMN1; SMN2GNAI3GNAO1
SCHEMBL26707325 0.82 SMN1; SMN2 (0.47) BRD4LTA4HSMN1; SMN2
SCHEMBL11916766 0.81 EPHX1 (0.51) BRD4LTA4HSMN1; SMN2
SCHEMBL2607204 0.81 NCF1 (0.41) NCF1GNAI3GNAO1GNAI1
SCHEMBL23136277 0.81 BRD4 (0.44) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097355-A1 DEUBIQUITINASE-TARGETING CHIMERAS AND RELATED METHODS VICINITAS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
WO-2023207101-A1 IONIZABLE LIPID COMPOUNDS Beijing Jitai Pharmaceutical Technology Co., Ltd. (CN) 2023-11-02 WO disclosed
EP-4269385-A1 IONIZABLE LIPID COMPOUNDS Beijing Jitai Pharmaceutical Technology Co., Ltd. (CN) 2023-11-01 EP disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-10556906-B2 Quinazoline compound ASTELLAS PHARMA INC. (JP) 2020-02-11 US disclosed
US-20190292182-A1 QUINAZOLINE COMPOUND ASTELLAS PHARMA INC. (JP) 2019-09-26 US disclosed
US-8921559-B2 4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-30 US disclosed
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-07 US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
EP-0581538-B1 4-Substituted 1,2,4-triazole derivatives MERCK SHARP & DOHME (GB) 1999-03-03 EP disclosed
CN-1037101-C 4-substituted 1,2,4-triazole derivatives MERCK SHARP & DOHME (GB) 1998-01-21 CN disclosed
EP-0581538-A1 4-Substituted 1,2,4-triazole derivatives MERCK SHARP & DOHME LTD. (GB) 1994-02-02 EP disclosed
US-4567178-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1986-01-28 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 (5 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-10556906-B2 Quinazoline compound KRAS, NRAS, HRAS BRD4 207/4885NCF1 855/4885LTA4H 3077/4885
US-20190292182-A1 QUINAZOLINE COMPOUND KRAS, NRAS, HRAS BRD4 207/4885NCF1 855/4885LTA4H 3077/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT BRD4 2096/4885NCF1 2865/4885LTA4H 1205/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR BRD4 1117/4885NCF1 1682/4885LTA4H 4165/4885
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 BRD4 213/4885NCF1 1472/4885LTA4H 234/4885

“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.