SCHEMBL22729415

SCHEMBL22729415

CCCCO[C@H]1CC[C@H](NC(=O)c2cnc3c(C)cn(C)c(=O)n23)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ CD38 P28907 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL22729416 1.00 CNR2 (0.37) CNR2CNR1TYK2CD38EPHX2
SCHEMBL22755013 0.84 CD38 (0.34) CNR2CNR1TYK2CD38KDM4E
SCHEMBL22729454 0.83 MAPK14 (0.39) CNR2CNR1KDM4EHTT
SCHEMBL29839293 0.83 MAPK14 (0.39) CNR2CNR1KDM4EHTT
SCHEMBL22729453 0.83 MAPK14 (0.39) CNR2CNR1KDM4EHTT
SCHEMBL22755193 0.81 NPC1 (0.47) CNR2CNR1KDM4E
SCHEMBL19555168 0.75 TYK2 (0.44) CNR2CNR1TYK2EPHX2
SCHEMBL19555169 0.75 TYK2 (0.44) CNR2CNR1TYK2EPHX2
SCHEMBL23996089 0.73 TYK2 (0.42) CNR2CNR1TYK2EPHX2IRAK4
SCHEMBL22729860 0.73 CNR2 (0.40) CNR2CNR1CD38EPHX2

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
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 — — US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP 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 (2 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC CNR2 801/4885CNR1 856/4885TYK2 4658/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC CNR2 804/4885CNR1 851/4885TYK2 4627/4885

“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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