SCHEMBL22042677

SCHEMBL22042677

COc1cncc(Nc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 2/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22042452 0.78 PDPK1 (0.47) SLC22A12CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22084103 0.77 CALM1 (0.34) DHFRCYP11B1CYP11B2IDO1AGXT
SCHEMBL5882318 0.74 ALDH1A1 (0.41) IDO1AGXT
SCHEMBL22042404 0.73 GAA (0.42) SLC22A12CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17361958 0.73 APP (0.44) THRBRECQLL3MBTL1AGXT
SCHEMBL18338189 0.70 MAPT (0.35) KDM4EGAAMAPTTHRBMAPK1
SCHEMBL31371185 0.70 CALM1 (0.50) KDM4EMAPTIDO1AGXT
SCHEMBL22042603 0.70 ALDH1A1 (0.49) SLC22A12CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1121430 0.69 IDO1 (0.50) NPC1MAPTRAB9AL3MBTL1IDO1
SCHEMBL4191925 0.69 XDH (0.61) SLC22A12CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528822-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2026-01-20 — — US disclosed
US-12060365-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-08-13 — — US disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 — — EP disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 — — EP disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 — — US disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 — — US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 — — US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 — — US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 — — US disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 — — US disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 — — EP disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 — — EP disclosed
WO-2020116662-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE 第一三共株式会社 2020-06-11 — — 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 (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-11236106-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 SLC22A12 3833/4885CHRNB2 2953/4885CHRNB4 3353/4885
US-12060365-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 SLC22A12 3833/4885CHRNB2 2953/4885CHRNB4 3353/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 SLC22A12 3833/4885CHRNB2 2953/4885CHRNB4 3353/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 SLC22A12 4280/4885CHRNB2 2523/4885CHRNB4 2982/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 SLC22A12 3833/4885CHRNB2 2953/4885CHRNB4 3353/4885

“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.

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