SCHEMBL22042579

SCHEMBL22042579

COc1cc(Br)cnc1N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
EGFR P00533 1/20 0.35
KMT2A Q03164 3/20 0.35
NQO2 P16083 2/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
SHMT2 P34897 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
PYCR1 P32322 1/20 0.33
HTR2A P28223 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
SCHEMBL29512209 0.87 EGFR (0.33) MAPTSMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL24226892 0.79 MAPT (0.32) MAPTSMN1; SMN2HTTKMT2ANQO2
SCHEMBL24226815 0.78 ACHE (0.40) MAPTSMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL15902113 0.77 MAPT (0.37) MAPTSMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL9628 0.75 CHRNB2 (0.49) MAPTSMN1; SMN2HTTKMT2ANQO2
SCHEMBL29611762 0.74 PIK3CA (0.49) MAPTSMN1; SMN2HTTKMT2ANQO2
SCHEMBL8916 0.74 PIK3CA (0.49) MAPTSMN1; SMN2HTTKMT2ANQO2
SCHEMBL188851 0.74 ALDH1A1 (0.46) MAPTSMN1; SMN2HTTKMT2ANQO2
SCHEMBL5732704 0.74 SMN1; SMN2 (0.40) MAPTSMN1; SMN2HTTL3MBTL1KDM4E
SCHEMBL855885 0.72 HTT (0.43) MAPTSMN1; SMN2HTTL3MBTL1KDM4E

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 14 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
CN-113164481-B Cycloalkane-1, 3-diamine derivatives 第一三共株式会社 2024-08-30 CN 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
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
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 MAPT 2878/4885SMN1; SMN2 1327/4885HTT 3654/4885
US-12060365-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 MAPT 2878/4885SMN1; SMN2 1327/4885HTT 3654/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 MAPT 2878/4885SMN1; SMN2 1327/4885HTT 3654/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 MAPT 3711/4885SMN1; SMN2 1678/4885HTT 4310/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 MAPT 2878/4885SMN1; SMN2 1327/4885HTT 3654/4885

“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.