SCHEMBL22472865

SCHEMBL22472865

CCOC(=O)N1C(C)CC(N2CCC(c3ccc[nH]c3=O)CC2)CC1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
CHRM1 P11229 11/20 0.40
CHRM4 P08173 5/20 0.39
CHRM2 P08172 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 3/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL22472943 0.89 ALDH1A1 (0.38) ALDH1A1RECQLCHRM1CHRM4CHRM2
SCHEMBL21597917 0.87 CHRM1 (0.43) ALDH1A1RECQLCHRM1CHRM4CHRM2
SCHEMBL22472878 0.78 CHRM4 (0.48) CHRM1CHRM4CHRM2
SCHEMBL17001978 0.77 CHRM4 (0.60) ALDH1A1CHRM1CHRM4CHRM2CHRM5
SCHEMBL22449313 0.76 CHRM1 (0.40) ALDH1A1RECQLCHRM1CHRM4CHRM2
SCHEMBL22472881 0.73 HTR1A (0.45) ALDH1A1CHRM1CHRM4CHRM2CHRM5
SCHEMBL12897053 0.72 CHRM1 (0.53) CHRM1CHRM4CHRM2CHRM5MEN1
SCHEMBL22472872 0.69 EPHX2 (0.40) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL22472890 0.69 MAPK1 (0.41) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL12897563 0.69 CHRM1 (0.50) CHRM1CHRM4CHRM2CHRM5

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 ALDH1A1 2016/4885RECQL 930/4885CHRM1 1/4885

“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.