SCHEMBL21873532

SCHEMBL21873532

COC(=O)c1cc(Cc2ccc(OC)nc2)c2c(n1)CCO2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.39
▸ GRM2 Q14416 2/20 0.38
▸ CSF1R P07333 4/20 0.38
▸ GPR52 Q9Y2T5 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL30427560 1.00 PARP1 (0.39) PARP1GRM2CSF1RGPR52SMN1; SMN2
SCHEMBL30428268 0.91 GRM2 (0.39) GRM2CSF1RGPR52SMN1; SMN2MEN1
SCHEMBL21873618 0.91 GRM2 (0.39) GRM2CSF1RGPR52SMN1; SMN2MEN1
SCHEMBL21873488 0.85 SLC5A1 (0.39) SMN1; SMN2RAB9A
SCHEMBL30429049 0.85 SLC5A1 (0.39) SMN1; SMN2RAB9A
SCHEMBL21935399 0.85 ADORA2A (0.43) CHRNA7CHRM1KCNH2NPC1RAB9A
SCHEMBL21935658 0.84 ADORA2A (0.42) SMN1; SMN2KMT2ACHRNA7CHRM1
SCHEMBL31668954 0.82 CHRM1 (0.54) CHRM1
SCHEMBL21873403 0.82 CHRM1 (0.54) CHRM1
SCHEMBL21873484 0.82 CHRM1 (0.54) CHRM1KCNH2

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 PARP1 4620/4885GRM2 2865/4885CSF1R 4070/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP PARP1 4620/4885GRM2 2865/4885CSF1R 4070/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP PARP1 4620/4885GRM2 2865/4885CSF1R 4070/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP PARP1 4620/4885GRM2 2865/4885CSF1R 4070/4885

“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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