SCHEMBL22472926

SCHEMBL22472926

CCOC(=O)N1C(C)CC(N2CCC(N3CCCCCC3=O)CC2)CC1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
CHRM1 P11229 9/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AOC3 Q16853 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 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
SCHEMBL22472890 0.99 MAPK1 (0.41) MAPK1CHRM1MEN1KMT2AAOC3
SCHEMBL22472880 0.88 MMP13 (0.35) MAPK1KMT2AAOC3ALDH1A1
SCHEMBL22472924 0.87 MMP13 (0.36) MAPK1KMT2AAOC3ALDH1A1
SCHEMBL21597934 0.86 MAPK1 (0.41) MAPK1CHRM1MEN1KMT2AAKR1C3
SCHEMBL22449299 0.84 MAPK1 (0.39) MAPK1CHRM1MEN1KMT2AAOC3
SCHEMBL22472905 0.76 ALDH1A1 (0.53) MAPK1CHRM1MEN1KMT2AALDH1A1
SCHEMBL16992357 0.75 CHRM4 (0.51) MAPK1CHRM1MEN1KMT2AALDH1A1
SCHEMBL4516164 0.75 L3MBTL1 (0.52) MAPK1CHRM1ALDH1A1
SCHEMBL22449321 0.74 MMP13 (0.34) MAPK1KMT2AAOC3ALDH1A1
SCHEMBL12568160 0.73 ALDH1A1 (0.52) MEN1KMT2AALDH1A1

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.