SCHEMBL23384264

SCHEMBL23384264

CC(=O)N1CCN(C2CCN(C3CCN(C(C)C)CC3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.48
KCNH2 Q12809 2/20 0.41
CYP2D6 P10635 1/20 0.41
PIK3CD O00329 1/20 0.41
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IRAK1 P51617 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
IRAK3 Q9Y616 2/20 0.39
CCNT1 O60563 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
HASPIN Q8TF76 1/20 0.38
CDK19 Q9BWU1 1/20 0.38

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
SCHEMBL19203866 0.98 HRH3 (0.49) HRH3KCNH2CYP2D6PIK3CDCYP1A2
SCHEMBL25075011 0.91 HRH3 (0.46) HRH3KCNH2CYP2D6L3MBTL3L3MBTL1
SCHEMBL4475509 0.84 HRH3 (0.49) HRH3KCNH2CYP2D6L3MBTL3L3MBTL1
SCHEMBL26173142 0.83 HRH3 (0.48) HRH3KCNH2CYP2D6
SCHEMBL26263548 0.82 PIK3CD (0.43) HRH3KCNH2CYP2D6PIK3CDCYP1A2
SCHEMBL21709625 0.81 HRH3 (0.54) HRH3KCNH2CYP2D6
SCHEMBL24726517 0.81 HRH3 (0.40) HRH3L3MBTL3L3MBTL1
SCHEMBL23384260 0.81 HRH3 (0.40) HRH3KCNH2CYP2D6L3MBTL3L3MBTL1
SCHEMBL15508283 0.81 CYP1A2 (0.52) HRH3KCNH2PIK3CDCYP1A2TDP1
SCHEMBL25075065 0.81 HRH3 (0.41) HRH3KCNH2CYP2D6

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 4015/4885KCNH2 4599/4885CYP2D6 4868/4885

“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.