SCHEMBL22472890

SCHEMBL22472890

CCOC(=O)N1C(C)CC(N2CCC(N3CCCCC3=O)CC2)CC1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
CHRM1 P11229 10/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AOC3 Q16853 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM4 P08173 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP2D6 P10635 1/20 0.34
VNN1 O95497 1/20 0.34

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
SCHEMBL22472926 0.99 MAPK1 (0.43) MAPK1CHRM1MEN1KMT2AAOC3
SCHEMBL22472924 0.88 MMP13 (0.36) MAPK1KMT2AAOC3VNN1
SCHEMBL22472880 0.87 MMP13 (0.35) MAPK1KMT2AAOC3VNN1
SCHEMBL22449299 0.85 MAPK1 (0.39) MAPK1CHRM1MEN1KMT2AAOC3
SCHEMBL21597934 0.84 MAPK1 (0.41) MAPK1CHRM1MEN1KMT2ACHRM2
SCHEMBL4516164 0.76 L3MBTL1 (0.52) MAPK1CHRM1
SCHEMBL22472905 0.75 ALDH1A1 (0.53) MAPK1CHRM1MEN1KMT2A
SCHEMBL16992357 0.74 CHRM4 (0.51) MAPK1CHRM1MEN1KMT2ACHRM2
SCHEMBL12568160 0.74 ALDH1A1 (0.52) MEN1KMT2A
SCHEMBL22449317 0.74 MMP13 (0.34) KMT2AAOC3VNN1

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-10787447-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2020-09-29 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-10787447-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 MAPK1 1738/4885CHRM1 1/4885MEN1 279/4885

“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.