SCHEMBL24475330

SCHEMBL24475330

CC(C)N1CCCCN(CCC2CCN(C)CC2)CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 3/20 0.33
VCP P55072 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGDS O60760 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NCF1 P14598 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
ACHE P22303 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
SCHEMBL22520690 0.94 HRH3 (0.40) HRH3ALDH1A1CYP1A2VCPCYP2D6
SCHEMBL22520616 0.87 CHRM5 (0.40) HRH3ALDH1A1NCF1ACHE
SCHEMBL13741206 0.87 HRH3 (0.45) HRH3ALDH1A1CYP1A2VCPCYP2D6
SCHEMBL24475343 0.86 HRH3 (0.39) HRH3ALDH1A1CYP1A2VCPCYP2D6
SCHEMBL6448305 0.83 NCF1 (0.43) HRH3ALDH1A1CYP1A2CYP2D6HPGDS
SCHEMBL12026484 0.82 CYP1A2 (0.43) HRH3CYP1A2VCP
SCHEMBL23317131 0.82 ALDH1A1 (0.44) HRH3ALDH1A1CYP1A2CYP2D6HPGDS
SCHEMBL21794544 0.80 VCP (0.43) HRH3VCPCYP2D6NCF1ACHE
SCHEMBL22520695 0.79 HRH3 (0.40) HRH3ALDH1A1EHMT2ACHE
SCHEMBL3437028 0.78 CYP1A2 (0.48) HRH3CYP1A2NCF1ACHE

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-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ASTRAZENECA UK LIMITED (GB) 2022-06-02 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-20220169643-A1 ESTROGEN RECEPTOR DEGRADING PROTACS ESR1, GPER1, ESRRG HRH3 1546/4885ALDH1A1 1242/4885CYP1A2 467/4885

“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.