SCHEMBL31668985

SCHEMBL31668985

Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc4c3OCC4)cn2)cn1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 17/20 0.65
PDE2A O00408 1/20 0.48
PDE11A Q9HCR9 1/20 0.48

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
SCHEMBL21873382 1.00 CHRM1 (0.65) CHRM1PDE2APDE11A
SCHEMBL31668928 0.91 CHRM1 (0.62) CHRM1
SCHEMBL21873404 0.91 CHRM1 (0.62) CHRM1
SCHEMBL21873461 0.91 CHRM1 (0.63) CHRM1PDE2APDE11A
SCHEMBL30427826 0.91 CHRM1 (0.63) CHRM1PDE2APDE11A
SCHEMBL21873423 0.89 CHRM1 (0.59) CHRM1PDE2APDE11A
SCHEMBL31668986 0.89 CHRM1 (0.59) CHRM1PDE2APDE11A
SCHEMBL12072487 0.89 CHRM1 (0.64) CHRM1PDE2APDE11A
SCHEMBL21935412 0.89 CHRM1 (0.71) CHRM1
SCHEMBL21935673 0.86 CHRM1 (0.62) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378256-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-08-05 US 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-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP CHRM1 817/4885PDE2A 115/4885PDE11A 2194/4885

“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.