SCHEMBL9998285

SCHEMBL9998285

CN(C)C(=O)C1CCC(=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP46A1 Q9Y6A2 8/20 0.33
BCHE P06276 1/20 0.33
ESR2 Q92731 1/20 0.32
DPP4 P27487 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 1/20 0.31

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
SCHEMBL27041286 0.82 GLI1 (0.34) GLI1CYP2D6CYP46A1BCHEDPP4
SCHEMBL21545609 0.80 GLI1 (0.41) GLI1CYP2D6CYP46A1BCHEDPP4
SCHEMBL197080 0.80
SCHEMBL15069311 0.79 THRB (0.34) THRB
SCHEMBL6888972 0.78 ALDH1A1 (0.42) BCHE
SCHEMBL2988471 0.76 DPP4 (0.33) GLI1CYP46A1BCHEDPP4
SCHEMBL2736560 0.75 CES2 (0.46) GLI1BCHEDPP4
SCHEMBL4639228 0.75
SCHEMBL18700771 0.75 THRB (0.45) GLI1CYP46A1BCHEDPP4THRB
SCHEMBL2312935 0.74 LMNA (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121421-B1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2026-03-11 EP disclosed
CN-118772018-A Preparation method of chiral cis-cyclohexane diamine 上海应用技术大学 2024-10-15 CN disclosed
CN-115697994-B Fused quinazoline derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-08-13 CN disclosed
CN-115594613-B Edison intermediate and preparation method thereof 上海柏狮生物科技有限公司 2024-04-19 CN disclosed
CN-116194446-A SOS1 inhibitor, pharmaceutical composition containing same and application thereof 北京泰德制药股份有限公司 2023-05-30 CN disclosed
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2023-05-11 US disclosed
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2023-05-11 US disclosed
CN-115697994-A Fused quinazoline derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-02-03 CN disclosed
CN-115594613-A Edoxaban intermediate and preparation method thereof 上海柏狮生物科技有限公司(CN) 2023-01-13 CN disclosed
US-20220135584-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF REVOLUTION MEDICINES INC (US) 2022-05-05 US 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-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICAL NV (BE) 2013-11-21 US disclosed
US-8518969-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-27 US disclosed
CN-103097375-A Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV 2013-05-08 CN disclosed
EP-2582692-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-24 EP disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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

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-20110312936-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 GLI1 2311/4885CYP2D6 480/4885CYP46A1 495/4885
US-20130310365-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 GLI1 2311/4885CYP2D6 480/4885CYP46A1 495/4885
US-20220135584-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 GLI1 493/4885CYP2D6 1282/4885CYP46A1 148/4885
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 GLI1 493/4885CYP2D6 1282/4885CYP46A1 148/4885

“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.