SCHEMBL20636624

SCHEMBL20636624

COc1c(C(=O)N[C@H]2COCC[C@@H]2O)cc(Br)c(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SIGMAR1 Q99720 10/20 0.38
▸ CHRM1 P11229 3/20 0.37
▸ DRD2 P14416 2/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ DRD3 P35462 2/20 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
SCHEMBL18339205 0.85 MEN1 (0.44) MEN1CYP1A2CYP2C19KMT2ACHRM1
SCHEMBL18339204 0.85 MEN1 (0.44) MEN1CYP1A2CYP2C19KMT2ACHRM1
SCHEMBL18338772 0.85 MEN1 (0.44) MEN1CYP1A2CYP2C19KMT2ACHRM1
SCHEMBL20636634 0.84 CHRM1 (0.46) MEN1CYP1A2CYP2C19KMT2ACHRM1
SCHEMBL20477738 0.84 MEN1 (0.43) MEN1CYP1A2CYP2C19KMT2ACHRM1
SCHEMBL20477736 0.84 MEN1 (0.43) MEN1CYP1A2CYP2C19KMT2ACHRM1
SCHEMBL20477737 0.84 MEN1 (0.43) MEN1CYP1A2CYP2C19KMT2ACHRM1
SCHEMBL20636629 0.82 CHRM1 (0.46) MEN1CYP1A2CYP2C19KMT2ACHRM1
SCHEMBL20636616 0.81 CHRM1 (0.35) CHRM1
SCHEMBL18338850 0.80 CHRM1 (0.42) MEN1CYP1A2CYP2C19KMT2ACHRM1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428150-B1 AROMATIC RING COMPOUND HAVING A CHOLINERGIC MUSCARINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATOR ACTIVITY TAKEDA PHARMACEUTICALS CO (JP) 2023-07-12 — — EP disclosed
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 — — US disclosed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 — — US disclosed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 — — 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 (2 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-20190083467-A1 AROMATIC RING COMPOUND CHRM1, CHRM2, CHRM4 MEN1 1622/4885CYP1A2 1864/4885CYP2C19 1491/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 MEN1 1622/4885CYP1A2 1864/4885CYP2C19 1491/4885

“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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