SCHEMBL12725438

SCHEMBL12725438

CN1CCC(Cc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ KDM2B Q8NHM5 1/20 0.50
▸ GRIK1 P39086 2/20 0.49
▸ FOLH1 Q04609 1/20 0.47

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
SCHEMBL12140976 0.88 MEP1B (0.48) —
SCHEMBL13162660 0.85 LOXL2 (0.54) KMT2A
SCHEMBL16033312 0.83 HTR1A (0.46) —
SCHEMBL9005670 0.82 PPM1D (0.64) CYP2D6CYP2C9HIF1AGRIK1FOLH1
SCHEMBL1230853 0.82 MEN1 (0.58) MEN1KMT2A
SCHEMBL9005566 0.82 PPM1D (0.64) CYP2D6CYP2C9HIF1AGRIK1FOLH1
SCHEMBL1364691 0.81 NMT1 (0.52) MEN1KMT2A
SCHEMBL1632342 0.80 KDM4E (0.58) MEN1KMT2A
SCHEMBL23684547 0.79 GRIK1 (0.51) MEN1KMT2ACYP2D6CYP2C9HIF1A
SCHEMBL1633286 0.79 GBA1 (0.60) CYP2D6CYP2C9HIF1AGRIK1FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 — — EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 — — US disclosed
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 — — US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 — — US 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 (1 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 MEN1 3696/4885KMT2A 2049/4885CYP2D6 3985/4885

“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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