SCHEMBL24475299

SCHEMBL24475299

CC(C)N1CCC(CN2CC3(CCN(C)CC3)C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.35
NCF1 P14598 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31
CYP2D6 P10635 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
SCHEMBL22520631 0.92 HRH3 (0.35) HRH3OPRM1OPRL1CYP2D6TLR9
SCHEMBL22565135 0.87 NCF1 (0.42) HRH3NCF1OPRM1OPRL1CACNA2D1
SCHEMBL27307184 0.86 OPRM1 (0.38) HRH3NCF1OPRM1OPRL1CACNA2D1
SCHEMBL24475333 0.86 TSHR (0.36) HRH3OPRM1OPRL1TLR9TLR8
SCHEMBL24671071 0.86 OPRM1 (0.35) HRH3OPRM1OPRL1
SCHEMBL24475297 0.86 HRH3 (0.30) HRH3
SCHEMBL27013290 0.86 HRH3 (0.33) HRH3NCF1CYP2D6
SCHEMBL27013289 0.86
SCHEMBL24475321 0.85 HRH3 (0.32) HRH3OPRM1OPRL1
SCHEMBL27016087 0.85 HRH3 (0.32) HRH3OPRM1OPRL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253250-A1 BRUTON'S TYROSINE KINASE DEGRADER CONTAINING FUSED-RING OR SPIRO-RING 正大天晴药业集团股份有限公司 2022-12-08 WO disclosed
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 1546/4885NCF1 4170/4885OPRM1 1171/4885

“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.