SCHEMBL18725429

SCHEMBL18725429

Cc1cnc(C(=O)NC2(CO)CC2)cc1Cc1ccc(-c2ccn(C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 13/20 0.43
▸ PDE2A O00408 1/20 0.42
▸ PDE11A Q9HCR9 1/20 0.42
▸ CNR2 P34972 2/20 0.37

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
SCHEMBL18725351 0.96 CHRM1 (0.43) CHRM1PDE2APDE11ACNR2
SCHEMBL18725427 0.82 CHRM1 (0.59) CHRM1PDE2APDE11A
SCHEMBL18725352 0.81 CHRM1 (0.59) CHRM1PDE2APDE11A
SCHEMBL17440142 0.81 CHRM1 (0.44) CHRM1PDE2APDE11A
SCHEMBL18725380 0.81 CHRM1 (0.48) CHRM1PDE2APDE11A
SCHEMBL18725479 0.80 CHRM1 (0.54) CHRM1PDE2APDE11A
SCHEMBL18725460 0.80 CHRM1 (0.44) CHRM1PDE2APDE11A
SCHEMBL18725368 0.80 CHRM1 (0.51) CHRM1PDE2APDE11A
SCHEMBL18725497 0.80 CHRM1 (0.57) CHRM1PDE2APDE11A
SCHEMBL18725476 0.79 CHRM1 (0.54) CHRM1PDE2APDE11A

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 7 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
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
US-20170121308-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 — — US 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
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 CHRM1 1/4885PDE2A 671/4885PDE11A 1151/4885

“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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