SCHEMBL23809133

SCHEMBL23809133

CC(C)c1cn(C[C@@H]2CCCN2C)c2ccc(C(=O)O)cc12

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.52
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
SLC22A12 Q96S37 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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 1.00 HTR6 (0.52) HTR6CNR1CNR2SLC22A12TDP1
SCHEMBL26581727 0.86 HTR6 (0.54) HTR6CNR1CNR2
SCHEMBL26581734 0.86 HTR6 (0.54) HTR6CNR1CNR2
SCHEMBL23809381 0.82 SLC22A12 (0.44) CNR1CNR2SLC22A12
SCHEMBL23809277 0.79 SLC22A12 (0.47) CNR1CNR2SLC22A12
SCHEMBL23809463 0.77 SLC22A12 (0.52) SLC22A12
SCHEMBL23809424 0.77 SLC22A12 (0.43) CNR1CNR2SLC22A12
SCHEMBL23809482 0.76 SLC22A12 (0.49) CNR1CNR2SLC22A12
SCHEMBL23809337 0.76 SLC22A12 (0.47) CNR1CNR2SLC22A12
SCHEMBL23809350 0.74 SLC22A12 (0.49) HTR6CNR2SLC22A12

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 HTR6 1347/4885CNR1 2722/4885CNR2 3259/4885

“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.