SCHEMBL23809209

SCHEMBL23809209

CC(C)c1cn(CCN2CCOCC2)c2cc(C(=O)O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.56
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
CNR2 P34972 7/20 0.47
CNR1 P21554 5/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44

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
SCHEMBL23809528 0.90 PDE4A (0.48) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL23809210 0.84 HSP90AA1 (0.41) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL23809277 0.81 SLC22A12 (0.47) SLC22A12CNR2CNR1
SCHEMBL23809337 0.81 SLC22A12 (0.47) SLC22A12CNR2CNR1HRH3
SCHEMBL23809362 0.79 SLC22A12 (0.67) SLC22A12
SCHEMBL26581392 0.74 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL30622560 0.73 HTR7 (0.51) KDM5AKDM5B
SCHEMBL1751729 0.73 HTR7 (0.51) KDM5AKDM5B
SCHEMBL17122117 0.73 CNR2 (0.47) CNR2CNR1KDM5AKDM5B
SCHEMBL15681588 0.73 HDAC3 (0.63) CNR2CNR1KDM5AKDM5B

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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 SLC22A12 3136/4885PDE4A 3812/4885PDE4B 3808/4885

“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.