SCHEMBL22967508

SCHEMBL22967508

COC(=O)C1(C(=O)N2CCNCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CHKA P35790 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP1A2 P05177 1/20 0.35
TPSAB1 Q15661 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
SCHEMBL951610 0.83 PSEN1 (0.40) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL22725318 0.81 MEN1 (0.40) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL29188773 0.81 HSD11B1 (0.39) HSD11B1CA2CA12CA1CA9
SCHEMBL22967561 0.80 HSD11B1 (0.43) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL22720076 0.79 GAA (0.47)
SCHEMBL15106195 0.79 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31085608 0.79 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18703623 0.77 HSD11B1 (0.49) HSD11B1CA2CA12CA1CA9
Hydrochloric Acid SCHEMBL18689553 0.76 HSD11B1 (0.47) HSD11B1CA2CA12CA1CA9
SCHEMBL31573268 0.75 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117229215-A Biaryl compound, pharmaceutical composition containing biaryl compound, preparation method and application of biaryl compound 四川科伦博泰生物医药股份有限公司 2023-12-15 CN disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
CN-114096525-B Biaryl compound, pharmaceutical composition containing biaryl compound, preparation method and application of biaryl compound 四川科伦博泰生物医药股份有限公司 2023-10-13 CN disclosed
CN-114096525-A Biaryl compounds, pharmaceutical compositions containing them, processes for their preparation and their use 四川科伦博泰生物医药股份有限公司 2022-02-25 CN disclosed
WO-2021047407-A1 BIARYL COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-03-18 WO disclosed
WO-2021047407-A1 BIARYL COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2021-03-18 WO disclosed
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 US disclosed
WO-2021023247-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 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 (2 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-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC HSD11B1 3819/4885CA2 3435/4885CA12 4316/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS HSD11B1 155/4885CA2 3488/4885CA12 2751/4885

“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.