SCHEMBL21873379

SCHEMBL21873379

Cn1ccc(-c2ccc(C=O)cn2)n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 11/20 0.41
CYP11B1 P15538 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KCNJ1 P48048 1/20 0.37
KEAP1 Q14145 1/20 0.37
KDM5B Q9UGL1 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL1356310 0.81 ALDH1A1 (0.44) CYP11B1KDM4EKCNJ1ALDH1A1
SCHEMBL14762040 0.79 AOC3 (0.37) CYP11B1KMT2AMEN1KDM4EKCNJ1
SCHEMBL31607175 0.79 ALDH1A1 (0.43) CYP11B1KDM4EKCNJ1ALDH1A1
SCHEMBL31607172 0.79 ALDH1A1 (0.43) CYP11B1KDM4EKCNJ1ALDH1A1
SCHEMBL31607177 0.79 ALDH1A1 (0.43) CYP11B1KDM4EKCNJ1ALDH1A1
SCHEMBL948672 0.77 KEAP1 (0.58) CYP11B1KMT2AMEN1CYP19A1KDM4E
SCHEMBL20636645 0.74 ALDH1A1 (0.44) CYP11B1KDM4EKCNJ1ALDH1A1
SCHEMBL42126 0.74 CCR1 (0.64) JMJD6KMT2ACYP19A1KEAP1KDM5B
SCHEMBL24409244 0.73 TRIM24 (0.42) CYP11B1KMT2AMEN1KDM4EKCNJ1
SCHEMBL19925989 0.73 CYP11B1 (0.49) CYP11B1KDM5B

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 12 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
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-02 US disclosed
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-28 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-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-24 US disclosed
EP-3612527-B1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICALS CO (JP) 2022-07-20 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-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-09-23 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 (8 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 JMJD6 2153/4885CYP11B1 302/4885KMT2A 528/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP JMJD6 2153/4885CYP11B1 302/4885KMT2A 528/4885
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 JMJD6 1683/4885CYP11B1 884/4885KMT2A 936/4885
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 JMJD6 1683/4885CYP11B1 884/4885KMT2A 936/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP JMJD6 2153/4885CYP11B1 302/4885KMT2A 528/4885
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 JMJD6 1691/4885CYP11B1 878/4885KMT2A 908/4885
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 JMJD6 1691/4885CYP11B1 878/4885KMT2A 908/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP JMJD6 2153/4885CYP11B1 302/4885KMT2A 528/4885

“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.