SCHEMBL22042473

SCHEMBL22042473

Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 1/20 0.56
ROCK2 O75116 1/20 0.53
PIK3CA P42336 1/20 0.50
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46

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
SCHEMBL13211888 0.85 SMN1; SMN2 (0.58) SMN1; SMN2GAAROCK2PIK3CAALDH1A1
SCHEMBL10264109 0.84 SMN1; SMN2 (0.60) SMN1; SMN2GAAROCK2PIK3CAALDH1A1
SCHEMBL19303132 0.84 SMN1; SMN2 (0.56) EPHX2SMN1; SMN2GAAROCK2PIK3CA
SCHEMBL15570529 0.83 SMN1; SMN2 (0.59) SMN1; SMN2GAAROCK2PIK3CAALDH1A1
SCHEMBL10203253 0.83 LMNA (0.59) EPHX2NR1H4SMN1; SMN2ROCK2ALDH1A1
SCHEMBL25442207 0.82 SMN1; SMN2 (0.59) SMN1; SMN2GAAROCK2PIK3CAALDH1A1
SCHEMBL24102299 0.76 PIK3CA (0.53) NR1H4SMN1; SMN2GAAROCK2PIK3CA
SCHEMBL24102220 0.76 PIK3CA (0.55) SMN1; SMN2GAAROCK2PIK3CAALDH1A1
SCHEMBL1842237 0.76 ROCK2 (0.52) EPHX2NR1H4SMN1; SMN2ROCK2PIK3CA
SCHEMBL14640097 0.75 WDR5 (0.54) SMN1; SMN2ROCK2PIK3CAALDH1A1L3MBTL1

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 16 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
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 US 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
EP-4125861-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS The Regents of the University of California (US) 2023-02-08 EP 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
WO-2021203016-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-07 WO disclosed
CN-113164481-A Cycloalkane-1, 3-diamine derivatives 第一三共株式会社 2021-07-23 CN 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 (6 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 EPHX2 4743/4885NR1H4 1076/4885SMN1; SMN2 1327/4885
US-12060365-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 EPHX2 4743/4885NR1H4 1076/4885SMN1; SMN2 1327/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 EPHX2 4743/4885NR1H4 1076/4885SMN1; SMN2 1327/4885
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 EPHX2 4456/4885NR1H4 4070/4885SMN1; SMN2 1672/4885
US-12528822-B2 Cycloalkane-1,3-diamine derivative MLLT1, MLLT3, PRMT6 EPHX2 4322/4885NR1H4 494/4885SMN1; SMN2 1678/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 EPHX2 4743/4885NR1H4 1076/4885SMN1; SMN2 1327/4885

“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.