SCHEMBL21873501

SCHEMBL21873501

Cn1cc(-c2ccc(Cc3cc(C(=O)O)nc4c3OCC4)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.45
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
CCNC P24863 10/20 0.42
CDK8 P49336 10/20 0.42
GRM2 Q14416 1/20 0.39
COMT P21964 1/20 0.39
CHRM3 P20309 1/20 0.38

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 0.89 CHRM1 (0.45) CHRM1PIM1PIM2CCNCCDK8
SCHEMBL21873385 0.89 CHRM1 (0.45) CHRM1PIM1PIM2CCNCCDK8
SCHEMBL21873400 0.89 CHRM1 (0.49) CHRM1PIM1PIM2GRM2
SCHEMBL30428359 0.89 CHRM1 (0.49) CHRM1PIM1PIM2GRM2
SCHEMBL19932608 0.87 CHRM1 (0.45) CHRM1PIM1PIM2CCNCCDK8
SCHEMBL21873392 0.84 BRD4 (0.38) CHRM1
SCHEMBL30427563 0.84 BRD4 (0.38) CHRM1
SCHEMBL21873510 0.84 PPARG (0.35) CHRM1CCNCCDK8
SCHEMBL30428257 0.84 PPARG (0.35) CHRM1CCNCCDK8
SCHEMBL21873442 0.84 CHRM1 (0.47) 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 8 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
CN-110709401-B Heterocyclic compounds 武田药品工业株式会社 2023-06-13 CN 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
CN-110709401-A Heterocyclic compounds 武田药品工业株式会社 2020-01-17 CN 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 817/4885PIM1 4730/4885PIM2 4700/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP CHRM1 817/4885PIM1 4730/4885PIM2 4700/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP CHRM1 817/4885PIM1 4730/4885PIM2 4700/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP CHRM1 817/4885PIM1 4730/4885PIM2 4700/4885

“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.