SCHEMBL23809381

SCHEMBL23809381

CC(C)c1cn(CC2CCN(C)C2)c2ccc(C(=O)O)cc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.44
KDM2B Q8NHM5 2/20 0.41
CNR1 P21554 4/20 0.39
ACE2 Q9BYF1 2/20 0.39
KDM4E B2RXH2 2/20 0.37
TEAD1 P28347 1/20 0.37
TEAD4 Q15561 1/20 0.37
TEAD2 Q15562 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
CNR2 P34972 3/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
DPP4 P27487 1/20 0.35

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
SCHEMBL23809309 0.82 HTR6 (0.52) SLC22A12CNR1CNR2
SCHEMBL23809133 0.82 HTR6 (0.52) SLC22A12CNR1CNR2
SCHEMBL23809424 0.82 SLC22A12 (0.43) SLC22A12KDM2BCNR1ACE2KDM4E
SCHEMBL23809337 0.79 SLC22A12 (0.47) SLC22A12CNR1ACE2KDM4ECNR2
SCHEMBL23809463 0.78 SLC22A12 (0.52) SLC22A12ACE2KDM4ETEAD1TEAD4
SCHEMBL23809277 0.77 SLC22A12 (0.47) SLC22A12KDM2BCNR1ACE2KDM4E
SCHEMBL23809482 0.75 SLC22A12 (0.49) SLC22A12CNR1ACE2KDM4ECNR2
SCHEMBL23809350 0.75 SLC22A12 (0.49) SLC22A12ACE2KDM4ECNR2ALDH1A1
SCHEMBL23809523 0.74 SLC22A12 (0.51) SLC22A12ACE2KDM4EALDH1A1HPGD
SCHEMBL1554607 0.73 ACE2 (0.51) SLC22A12ACE2KDM4EALDH1A1HPGD

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 3136/4885KDM2B 2082/4885CNR1 2722/4885

“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.