SCHEMBL18909112

SCHEMBL18909112

CCC(=O)N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.51
L3MBTL3 Q96JM7 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
EPHX2 P34913 2/20 0.45
GNAI3 P08754 3/20 0.43
GNAO1 P09471 3/20 0.43
GNAI1 P63096 3/20 0.43
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
BDKRB1 P46663 1/20 0.42
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM1 P11229 2/20 0.42
CHRM2 P08172 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13612604 0.93 L3MBTL3 (0.51) ACHEL3MBTL3L3MBTL1EPHX2GNAI3
SCHEMBL25628527 0.88 ACHE (0.44) ACHEL3MBTL3L3MBTL1EPHX2GNAI3
SCHEMBL12313355 0.85 MEN1 (0.54) L3MBTL3L3MBTL1EPHX2ALDH1A1KDM4E
SCHEMBL15932473 0.85 ALDH1A1 (0.46) EPHX2ACACBACACAALDH1A1KDM4E
SCHEMBL19203542 0.84 ACHE (0.50) ACHEL3MBTL3L3MBTL1GNAI3GNAO1
SCHEMBL12452076 0.84 MEN1 (0.56) ACHEL3MBTL3L3MBTL1EPHX2ALDH1A1
SCHEMBL18909099 0.83 HRH3 (0.47) ACHEL3MBTL3L3MBTL1EPHX2ALDH1A1
SCHEMBL18909106 0.83 EPHX2 (0.43) ACHEEPHX2ACACBACACAALDH1A1
SCHEMBL18909098 0.83 EPHX2 (0.46) ACHEEPHX2ACACBACACAALDH1A1
SCHEMBL21561085 0.82 KDM4E (0.55) EPHX2ACACBACACAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
US-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-09-14 US disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 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 (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-20170260208-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS BRSK2, STK3, BRSK1 ACHE 4854/4885L3MBTL3 2138/4885L3MBTL1 2736/4885

“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.