SCHEMBL27201256

SCHEMBL27201256

CC(C)c1cc(NCCc2c[nH]c3ccccc23)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.55
HTR1A P08908 12/20 0.55
HTR6 P50406 12/20 0.55
DRD2 P14416 11/20 0.55
HTR7 P34969 11/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.51
SLC2A1 P11166 1/20 0.51
RAD52 P43351 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
MC5R P33032 1/20 0.46
MC3R P41968 1/20 0.46
MC1R Q01726 1/20 0.46

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
SCHEMBL30885219 1.00 HTR2A (0.55) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL28043713 0.80 HTR1A (0.53) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL15756990 0.77 NUDT1 (0.53) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL30885251 0.77 HTR1A (0.51) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL27201422 0.77 HTR1A (0.51) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL30579299 0.73 KMT2A (0.51) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL20557937 0.73 KMT2A (0.51) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL31535625 0.73 KMT2A (0.59) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL7110415 0.73 HTR1A (0.48) HTR2AHTR1AHTR6DRD2HTR7
SCHEMBL2732463 0.70 HTR2A (0.69) HTR2AHTR1AHTR6HTR7KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US claimed
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP HTR2A 3413/4885HTR1A 3418/4885HTR6 2736/4885

“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.