SCHEMBL23809455

SCHEMBL23809455

CC(C)c1cn(CCCl)c2ccc(-c3ncn(C)n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ USP1 O94782 3/20 0.38
▸ HTR1A P08908 5/20 0.35
▸ DRD4 P21917 5/20 0.35
▸ HTR1B P28222 5/20 0.35
▸ DRD3 P35462 4/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.32
▸ AOC3 Q16853 2/20 0.32
▸ HTR2C P28335 1/20 0.31
▸ XDH P47989 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ ICMT O60725 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL23809237 0.84 DRD2 (0.43) DRD2HTR2AUSP1HTR1ADRD4
SCHEMBL23809414 0.83 HTR1A (0.42) DRD2HTR2AHTR1ADRD4HTR1B
SCHEMBL23809218 0.83 DRD2 (0.42) DRD2HTR2AUSP1HTR1ADRD4
SCHEMBL23809510 0.81 GRIN2B (0.39) USP1MCL1
SCHEMBL23809281 0.80 MCL1 (0.42) DRD2HTR2AUSP1HTR1ADRD4
SCHEMBL23809214 0.78 MCL1 (0.41) MCL1
SCHEMBL23809423 0.78 MCL1 (0.42) DRD2HTR2AMCL1ICMT
SCHEMBL23809236 0.76 GRIN2B (0.44) MCL1
SCHEMBL20604926 0.71 DRD2 (0.39) DRD2HTR2AHTR1ADRD4HTR1B
SCHEMBL20604874 0.71 DRD2 (0.41) DRD2HTR2AHTR1ADRD4HTR1B

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 DRD2 3801/4885HTR2A 1729/4885USP1 675/4885

“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.

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