SCHEMBL29304355

SCHEMBL29304355

COc1cc(C(C)C)cc2cn(CCC(C)c3ccc4cn(C)nc4c3)nc12

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CASR P41180 11/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL26022766 0.82 MAPT (0.40) MAPTKDM4ENSD2ALDH1A1
SCHEMBL23717463 0.77 CASR (0.34) ALDH1A1CASR
SCHEMBL22923316 0.74 MAPT (0.39) MAPTKDM4ENSD2ALDH1A1
SCHEMBL21871679 0.73 MAPT (0.38) MAPTKDM4ENSD2ALDH1A1
SCHEMBL21938497 0.72 ALDH1A1 (0.51) MAPTKDM4ENSD2ALDH1A1
SCHEMBL12709597 0.71 MAPT (0.58) MAPTKDM4ENSD2ALDH1A1
SCHEMBL19619606 0.69 KEAP1 (0.40) MAPTKDM4EALDH1A1
SCHEMBL24345425 0.67 IRAK4 (0.36) CASR
SCHEMBL29304344 0.65
SCHEMBL29304382 0.65

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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 MAPT 337/4885KDM4E 2149/4885NSD2 1378/4885

“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.