SCHEMBL4301335

SCHEMBL4301335

CC(C)(C)OC(=O)N1CC2CC2C1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PREP P48147 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL4311605 0.85 CHRM2 (0.42) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL21554858 0.83 NR1H2 (0.44) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL4301555 0.82 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL4302765 0.82 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL30516973 0.82 CHRM2 (0.41) NR1H2CHRM2CHRM1CHRM3USP2
SCHEMBL4300631 0.81 NR1H2 (0.37) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL23668781 0.80 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL24909276 0.80 NR1H2 (0.53) NR1H2CHRM2CHRM1CHRM3HSD11B1
SCHEMBL21530145 0.80 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3CYP1A2
SCHEMBL24113163 0.80 NR1H2 (0.42) NR1H2CHRM2CHRM1CHRM3CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117677614-A Heterocyclic compound with AKT kinase inhibition activity, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-03-08 CN disclosed
CN-116514817-A Heterocyclic compound with AKT kinase inhibition activity, preparation method and medical application thereof 中国医药研究开发中心有限公司 2023-08-01 CN disclosed
WO-2023109540-A1 HETEROCYCLIC COMPOUND WITH AKT KINASE INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-06-22 WO disclosed
WO-2023109540-A1 HETEROCYCLIC COMPOUND WITH AKT KINASE INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2023-06-22 WO disclosed
WO-2020246903-A1 DOPAMINE-Β-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2020-12-10 WO disclosed
US-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-12 US disclosed
EP-2014648-A1 PROCESS FOR PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDUCT SALT THEREOF Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF C9, NPPA, ADH1C NR1H2 4250/4885CHRM2 1427/4885CHRM1 1013/4885

“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.