SCHEMBL18725418

SCHEMBL18725418

Cc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.47
▸ CHRM1 P11229 7/20 0.46
▸ CNR2 P34972 4/20 0.41
▸ PDE2A O00408 1/20 0.39
▸ PDE11A Q9HCR9 1/20 0.39
▸ TDO2 P48775 1/20 0.37
▸ ANO1 Q5XXA6 2/20 0.37
▸ GABRA1 P14867 4/20 0.37
▸ USP30 Q70CQ3 1/20 0.36

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
SCHEMBL18725422 1.00 CNR1 (0.47) CNR1CHRM1CNR2PDE2APDE11A
SCHEMBL18725420 1.00 CNR1 (0.47) CNR1CHRM1CNR2PDE2APDE11A
SCHEMBL12803280 0.78 CNR2 (0.43) CNR1CHRM1CNR2
SCHEMBL18725444 0.77 CNR1 (0.52) CNR1CHRM1CNR2ANO1
SCHEMBL18725447 0.77 CNR1 (0.52) CNR1CHRM1CNR2ANO1
SCHEMBL18725446 0.77 CNR1 (0.52) CNR1CHRM1CNR2ANO1
SCHEMBL18725393 0.73 LIPE (0.40) GABRA1USP30
SCHEMBL12074157 0.71 CHRM1 (0.39) CHRM1PDE2APDE11AGABRA1
SCHEMBL15051210 0.70 ABL1 (0.46) —
SCHEMBL626900 0.69 L3MBTL1 (0.44) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3156397-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 — — US disclosed
EP-3156397-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-04-19 — — 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-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CNR1 27/4885CHRM1 1/4885CNR2 55/4885

“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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