SCHEMBL23809414

SCHEMBL23809414

CC(C)c1cn(CCN2CCOCC2)c2ccc(-c3ncn(C)n3)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.42
▸ DRD4 P21917 5/20 0.42
▸ HTR1B P28222 5/20 0.42
▸ DRD3 P35462 4/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ CNR2 P34972 5/20 0.38
▸ ICMT O60725 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ CNR1 P21554 1/20 0.36

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 0.91 DRD2 (0.43) HTR1ADRD4HTR1BDRD3MCL1
SCHEMBL26581592 0.86 HTR1A (0.44) HTR1ADRD4HTR1BDRD3MCL1
SCHEMBL23809476 0.86 ICMT (0.41) HTR1ADRD4HTR1BDRD3MEN1
SCHEMBL20604923 0.85 HTR1A (0.44) HTR1ADRD4HTR1BDRD3MCL1
SCHEMBL23809236 0.85 GRIN2B (0.44) MEN1KMT2AMCL1ALDH1A1SMN1; SMN2
SCHEMBL23809281 0.84 MCL1 (0.42) HTR1ADRD4HTR1BDRD3MCL1
SCHEMBL23809509 0.84 MCL1 (0.44) MEN1KMT2AMCL1CNR2ICMT
SCHEMBL23809455 0.83 DRD2 (0.38) HTR1ADRD4HTR1BDRD3MCL1
SCHEMBL23809334 0.78 KDR (0.37) HTR1ADRD4HTR1BDRD3MCL1
SCHEMBL20605190 0.78 MET (0.45) HTR1ADRD4HTR1BDRD3KDM4E

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 HTR1A 2199/4885DRD4 4430/4885HTR1B 2460/4885

“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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