SCHEMBL18909246

SCHEMBL18909246

CCC(=O)N1CCC(N2CCSCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.47
ACACB O00763 2/20 0.42
ACACA Q13085 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM1 P11229 2/20 0.41
CHRM2 P08172 1/20 0.41
EPHX1 P07099 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL18909113 0.86 EPHX2 (0.44) EPHX2ACACBACACAALDH1A1EPHX1
SCHEMBL12313355 0.84 MEN1 (0.54) EPHX2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12452076 0.82 MEN1 (0.56) EPHX2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22891629 0.82 KDM4E (0.58) EPHX2ACACBACACAALDH1A1MEN1
SCHEMBL3789686 0.81 EPHX2 (0.46) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL18909112 0.81 ACHE (0.51) EPHX2ACACBACACAALDH1A1CHRM1
SCHEMBL21561085 0.81 KDM4E (0.55) EPHX2ACACBACACAALDH1A1CHRM1
SCHEMBL15932473 0.80 ALDH1A1 (0.46) EPHX2ACACBACACAALDH1A1KMT2A
SCHEMBL18909232 0.79 KDM4E (0.51) EPHX2ALDH1A1CHRM1CHRM2KDM4E
SCHEMBL21561140 0.78 OPRM1 (0.44) EPHX2ACACBACACAALDH1A1CHRM1

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 6 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-3416967-B1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-02-09 EP disclosed
US-20200165260-A1 INHALED POWDER FORMULATIONS GENENTECH, INC. (US) 2020-05-28 US disclosed
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO 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-20200165260-A1 INHALED POWDER FORMULATIONS JAK1, STAT5A, JAK2 EPHX2 4091/4885ACACB 4301/4885ACACA 3454/4885

“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.