SCHEMBL22729494

SCHEMBL22729494

CCCCO[C@@H]1CC[C@H](NC(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.49
▸ PPP5C P53041 1/20 0.38
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL2975112 0.90 EPHX2 (0.54) EPHX2CNR1CNR2SMYD3
SCHEMBL2975107 0.90 EPHX2 (0.54) EPHX2CNR1CNR2SMYD3
SCHEMBL22729658 0.89 EPHX2 (0.43) EPHX2PPP5CCNR1CNR2
SCHEMBL21403868 0.85 GABRA1 (0.36) EPHX2SMYD3GAA
SCHEMBL29839284 0.81 BTK (0.48) EPHX2GAA
SCHEMBL25375425 0.76 EPHX2 (0.43) EPHX2SMYD3SMN1; SMN2
SCHEMBL8970567 0.76 PPP5C (0.43) EPHX2PPP5CMAPK1
SCHEMBL5003553 0.75 FFAR4 (0.41) SMN1; SMN2
SCHEMBL16405165 0.75 EPHX2 (0.41) EPHX2PPP5CCNR1CNR2
SCHEMBL5003551 0.75 FFAR4 (0.41) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC EPHX2 2093/4885PPP5C 1017/4885CNR1 856/4885

“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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