SCHEMBL23809337

SCHEMBL23809337

CC(C)c1cn(CCN2CCN(C)CC2)c2ccc(C(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.47
CNR1 P21554 1/20 0.44
PLK1 P53350 2/20 0.42
ACE2 Q9BYF1 2/20 0.41
RAD52 P43351 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CNR2 P34972 3/20 0.39
HTR7 P34969 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
SCHEMBL23809277 0.92 SLC22A12 (0.47) SLC22A12CNR1ACE2KDM4ECNR2
SCHEMBL23809463 0.83 SLC22A12 (0.52) SLC22A12ACE2KDM4EHPGDALDH1A1
SCHEMBL23809209 0.81 SLC22A12 (0.56) SLC22A12CNR1CNR2HRH3
SCHEMBL23809350 0.80 SLC22A12 (0.49) SLC22A12ACE2RAD52KDM4ECNR2
SCHEMBL23809482 0.80 SLC22A12 (0.49) SLC22A12CNR1ACE2KDM4ECNR2
SCHEMBL23809381 0.79 SLC22A12 (0.44) SLC22A12CNR1ACE2KDM4ECNR2
SCHEMBL23809336 0.77 ICMT (0.38) CNR1HTR7ENPP2
SCHEMBL23809523 0.77 SLC22A12 (0.51) SLC22A12ACE2KDM4EHPGDALDH1A1
SCHEMBL23809309 0.76 HTR6 (0.52) SLC22A12CNR1CNR2
SCHEMBL1554607 0.76 ACE2 (0.51) SLC22A12ACE2KDM4EHPGDALDH1A1

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 3136/4885CNR1 2722/4885PLK1 291/4885

“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.