SCHEMBL23384367

SCHEMBL23384367

CCC1CCN(C2CCN(C3CCN(C(C)C)CC3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.37
TLR9 Q9NR96 3/20 0.36
TLR8 Q9NR97 3/20 0.36
TLR7 Q9NYK1 3/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
OPRK1 P41145 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL24481136 1.00 HRH3 (0.37) HRH3TLR9TLR8TLR7MEN1
SCHEMBL26143653 0.89 HRH3 (0.36) HRH3TLR9TLR8TLR7L3MBTL1
SCHEMBL178291 0.88 HRH3 (0.43) HRH3
SCHEMBL24941981 0.85 OPRL1 (0.43) HRH3TLR9TLR8TLR7L3MBTL1
SCHEMBL24827928 0.85 HRH3 (0.34) HRH3TLR9TLR8TLR7L3MBTL1
SCHEMBL22302355 0.85 HRH3 (0.31) HRH3MEN1KMT2A
SCHEMBL27131232 0.85 MEN1 (0.42) HRH3MEN1KMT2AKDM4ETSHR
SCHEMBL25046319 0.85 MEN1 (0.42) HRH3MEN1KMT2AKDM4ETSHR
SCHEMBL24838821 0.83 HRH3 (0.36) HRH3TLR9TLR8TLR7L3MBTL1
SCHEMBL22306136 0.83 HRH3 (0.36) HRH3TLR9TLR8TLR7L3MBTL1

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-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-20 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-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS TEK, KDR, LIPG HRH3 4015/4885TLR9 2201/4885TLR8 1315/4885

“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.