SCHEMBL21873365

SCHEMBL21873365

COC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)nc2)c2c(n1)CCO2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.49
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
GRM2 Q14416 5/20 0.39
MET P08581 1/20 0.37
CSF1R P07333 1/20 0.37
PARP1 P09874 1/20 0.36
KCNJ1 P48048 1/20 0.36
STING1 Q86WV6 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
SCHEMBL30428197 1.00 CHRM1 (0.49) CHRM1CYP11B1CYP11B2GRM2MET
SCHEMBL21873400 0.90 CHRM1 (0.49) CHRM1CYP11B1CYP11B2GRM2MET
SCHEMBL30428359 0.90 CHRM1 (0.49) CHRM1CYP11B1CYP11B2GRM2MET
SCHEMBL21873385 0.89 CHRM1 (0.45) CHRM1GRM2MET
SCHEMBL30428285 0.89 CHRM1 (0.45) CHRM1GRM2MET
SCHEMBL21873582 0.87 CHRM1 (0.45) CHRM1PARP1
SCHEMBL30428625 0.87 CHRM1 (0.45) CHRM1PARP1
SCHEMBL21935412 0.84 CHRM1 (0.71) CHRM1
SCHEMBL21935673 0.84 CHRM1 (0.62) CHRM1
SCHEMBL23698798 0.83 CHRM1 (0.49) CHRM1CYP11B1CYP11B2GRM2MET

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 6 patents. 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
EP-3643718-B1 HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. TAKEDA PHARMACEUTICALS CO (JP) 2023-07-26 EP disclosed
US-11236099-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-01 US disclosed
US-20220017530-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
US-20210139491-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
EP-3643718-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-04-29 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 (4 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-20220017530-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP CHRM1 817/4885CYP11B1 302/4885CYP11B2 197/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP CHRM1 817/4885CYP11B1 302/4885CYP11B2 197/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP CHRM1 817/4885CYP11B1 302/4885CYP11B2 197/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP CHRM1 817/4885CYP11B1 302/4885CYP11B2 197/4885

“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.