SCHEMBL23788672

SCHEMBL23788672

CC(C)(C)CC1CCN(C2CCOCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR4 Q13639 2/20 0.33
LMNA P02545 1/20 0.31
PDE7A Q13946 1/20 0.31

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
SCHEMBL23788358 0.85 SMN1; SMN2 (0.38) HRH3
SCHEMBL23788363 0.82 USP1 (0.32)
SCHEMBL12437113 0.82 HRH3 (0.41) HRH3
SCHEMBL26972254 0.80 HRH3 (0.43) HRH3
SCHEMBL12424502 0.80 MEN1 (0.38) HRH3CHRM2CHRM4CHRM1CHRM5
SCHEMBL799949 0.79 THRA (0.38)
SCHEMBL24827850 0.77 OPRM1 (0.30)
SCHEMBL26973851 0.77 GNAO1 (0.36) HRH3CHRM2CHRM1CHRM3
SCHEMBL6379437 0.76 NCF1 (0.45) HRH3CHRM2CHRM4CHRM1CHRM5
SCHEMBL18692703 0.76 PDE7A (0.41) HRH3CHRM2CHRM4CHRM1HTR4

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-20210275522-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF ASCENTAGE PHARMA SUZHOU CO LTD (CN) 2021-09-09 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-20210275522-A1 PHARMACEUTICAL COMPOSITIONS AND USE THEREOF CDK2, CDK5, CDK6 HRH3 3812/4885CHRM2 4613/4885CHRM4 4873/4885

“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.