SCHEMBL21440599

SCHEMBL21440599

CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(O)(CO)CC3)ccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ THRB P10828 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ TSHR P16473 2/20 0.41
▸ EPHA2 P29317 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ RARB P10826 1/20 0.40
▸ TBXAS1 P24557 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39

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
SCHEMBL18312803 0.89 MAPT (0.49) MAPTTHRBKMT2AALDH1A1KDM4E
SCHEMBL18313491 0.88 KMT2A (0.52) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18313671 0.88 MAPT (0.46) MAPTTHRBKMT2AALDH1A1KDM4E
SCHEMBL21440598 0.87 ALDH1A1 (0.56) MAPTTHRBKMT2AALDH1A1KDM4E
SCHEMBL18313672 0.86 MAPT (0.48) MAPTTHRBKMT2AALDH1A1KDM4E
SCHEMBL18313131 0.86 MAPT (0.44) MAPTTHRBKMT2AALDH1A1KDM4E
SCHEMBL18306061 0.85 KMT2A (0.41) MAPTTHRBKMT2AALDH1A1KDM4E
SCHEMBL18312960 0.85 MAPT (0.49) MAPTTHRBKMT2AALDH1A1KDM4E
SCHEMBL22331620 0.84 KMT2A (0.53) MAPTTHRBKMT2AALDH1A1KDM4E
SCHEMBL21440596 0.84 KMT2A (0.53) MAPTTHRBKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307741-B1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARIC M2 RECEPTOR Bayer Pharma AG (DE) 2020-10-28 — — EP disclosed
EP-3692991-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC M2 RECEPTOR Bayer Pharma Aktiengesellschaft (DE) 2020-08-12 — — EP disclosed
US-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-08 — — 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-10435403-B2 Positive allosteric modulators of muscarinic M2 receptor CHRM2, CHRM1, CHRM3 MAPT 4084/4885THRB 46/4885KMT2A 1318/4885

“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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