SCHEMBL24485993

SCHEMBL24485993

CCC(C)N1CCC(N2CCC(OC)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
OPRM1 P35372 3/20 0.33
OPRL1 P41146 3/20 0.33
TP53 P04637 1/20 0.32
CHRM1 P11229 2/20 0.31
CHRM2 P08172 2/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL13101427 0.89 HRH3 (0.49) HRH3
SCHEMBL21871391 0.87 HRH3 (0.43) HRH3OPRM1OPRL1
SCHEMBL21871369 0.82 HRH3 (0.40) HRH3TLR9TLR8TLR7
SCHEMBL26023136 0.79 HRH3 (0.35) HRH3OPRM1OPRL1TP53CHRM1
SCHEMBL21779953 0.79 HRH3 (0.43) HRH3
SCHEMBL21779876 0.79 HRH3 (0.43) HRH3
SCHEMBL23784287 0.79 L3MBTL3 (0.42) HRH3OPRM1OPRL1TP53
SCHEMBL22456358 0.77 TSHR (0.40) HRH3OPRM1OPRL1TP53TLR9
SCHEMBL23588628 0.76 HRH3 (0.38) HRH3TLR9TLR7
SCHEMBL23588761 0.76 HRH3 (0.38) HRH3TLR9TLR7

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-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 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-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR HRH3 3238/4885OPRM1 3791/4885OPRL1 2876/4885

“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.