SCHEMBL9998715

SCHEMBL9998715

CC(C)(O)C1CCC(=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CES2 O00748 3/20 0.46
ESR2 Q92731 2/20 0.34
TRPA1 O75762 1/20 0.33
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
Ethylene SCHEMBL4705734 0.95 LMNA (0.44) LMNACES2ESR2TRPA1
SCHEMBL41691 0.79 ALDH1A1 (0.40) LMNAESR2TRIM24TRIM33
SCHEMBL2709914 0.79 TRIM24 (0.33) LMNACES2ESR2TRIM24TRIM33
SCHEMBL8483543 0.78 CES2 (0.33) LMNACES2ESR2
SCHEMBL11203735 0.77 LMNA (0.54) LMNACES2TRPA1
SCHEMBL12326589 0.75 CA1 (0.31) ESR2TRIM24TRIM33
SCHEMBL3597999 0.75 ALDH1A1 (0.43) LMNAESR2TRIM24TRIM33
SCHEMBL10779826 0.75 LMNA (0.47) LMNACES2ESR2TRPA1
SCHEMBL12326782 0.75 TRIM24 (0.30) ESR2TRIM24TRIM33
SCHEMBL15106032 0.75 CES2 (0.38) LMNACES2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112430632-B Preparation method of 2- ((trans) -4-aminocyclohexyl) isopropanol 上海合全药物研发有限公司 2022-09-13 CN claimed
CN-112430632-A Preparation method of 2- ((trans) -4-aminocyclohexyl) isopropanol 上海合全药物研发有限公司 2021-03-02 CN claimed
CN-112430632-B Preparation method of 2- ((trans) -4-aminocyclohexyl) isopropanol 上海合全药物研发有限公司 2022-09-13 CN disclosed
CN-112430632-B Preparation method of 2- ((trans) -4-aminocyclohexyl) isopropanol 上海合全药物研发有限公司 2022-09-13 CN disclosed
CN-112430632-A Preparation method of 2- ((trans) -4-aminocyclohexyl) isopropanol 上海合全药物研发有限公司 2021-03-02 CN disclosed
CN-112430632-A Preparation method of 2- ((trans) -4-aminocyclohexyl) isopropanol 上海合全药物研发有限公司 2021-03-02 CN disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
EP-2582692-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-9062048-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-06-23 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
WO-2011159854-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-22 WO disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 US disclosed
US-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTAICA N.V. (BE) 2011-12-22 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 (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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 LMNA 4185/4885CES2 809/4885ESR2 512/4885

“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.