SCHEMBL21873385

SCHEMBL21873385

COC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)cc2)c2c(n1)CCO2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.45
CCNC P24863 8/20 0.40
CDK8 P49336 8/20 0.40
GRM2 Q14416 3/20 0.40
MAPK8 P45983 1/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MET P08581 1/20 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
SCHEMBL30428285 1.00 CHRM1 (0.45) CHRM1CCNCCDK8GRM2MAPK8
SCHEMBL21873501 0.89 CHRM1 (0.45) CHRM1CCNCCDK8GRM2PIM1
SCHEMBL21873365 0.89 CHRM1 (0.49) CHRM1GRM2MET
SCHEMBL30428197 0.89 CHRM1 (0.49) CHRM1GRM2MET
SCHEMBL19932610 0.88 CHRM1 (0.46) CHRM1CCNCCDK8GRM2MAPK8
SCHEMBL21873604 0.85 BRD4 (0.38) CHRM1
SCHEMBL30428362 0.85 BRD4 (0.38) CHRM1
SCHEMBL30427998 0.85 CHRM1 (0.47) CHRM1
SCHEMBL21873516 0.85 CHRM1 (0.47) CHRM1
SCHEMBL21935357 0.83 CHRM1 (0.64) CHRM1CCNCCDK8

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 817/4885CCNC 1324/4885CDK8 3231/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP CHRM1 817/4885CCNC 1324/4885CDK8 3231/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP CHRM1 817/4885CCNC 1324/4885CDK8 3231/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP CHRM1 817/4885CCNC 1324/4885CDK8 3231/4885

“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.