SCHEMBL21929477

SCHEMBL21929477

O=C(O)c1cc(Cc2ccc(-n3cccn3)cc2)cc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.47
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 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
Lithium Ion SCHEMBL21878483 0.89 CHRM1 (0.46) CHRM1KLKB1KLK1LMNAMPO
SCHEMBL21878499 0.87 CHRM1 (0.49) CHRM1KLKB1KLK1LMNAMPO
SCHEMBL21929402 0.82 CHRM1 (0.58) CHRM1
SCHEMBL21878490 0.81 CHRM1 (0.64) CHRM1
SCHEMBL21878478 0.80 CHRM1 (0.71) CHRM1
SCHEMBL21878465 0.80 CHRM1 (0.57) CHRM1
SCHEMBL21878500 0.80 CHRM1 (0.72) CHRM1
SCHEMBL21878486 0.79 CHRM1 (0.55) CHRM1
SCHEMBL21928922 0.79 CHRM1 (0.44) CHRM1MPOPPARGPPARA
SCHEMBL21875441 0.76 PPARG (0.40) CHRM1KLKB1KLK1LMNAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NIH-DEITR 2020-04-30 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-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885KLKB1 2871/4885KLK1 2237/4885

“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.