SCHEMBL5820172

SCHEMBL5820172

COc1ccccc1-c1cc2cc(C3CCN(CCN(C)C(=O)OC(C)(C)C)C3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.41
CARM1 Q86X55 3/20 0.41
TLR7 Q9NYK1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4B Q07343 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR1A P08908 2/20 0.39
HTR1D P28221 1/20 0.39

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
SCHEMBL5818162 0.97 TLR9 (0.45) TLR9CARM1TLR7ALDH1A1HTT
SCHEMBL5822020 0.88 CCNT1 (0.43) TLR9CARM1TLR7CCNT1CDK9
SCHEMBL5824218 0.86 HRH3 (0.43) TLR9TLR7HRH3HTR1AMCHR1
SCHEMBL5821272 0.82 HRH3 (0.40) TLR9CARM1TLR7HRH3
SCHEMBL5821626 0.81 CCNT1 (0.42) ALDH1A1CCNT1CDK9KDM4EMEN1
SCHEMBL5950685 0.81 KDM4E (0.39) ALDH1A1CCNT1CDK9KDM4EMEN1
SCHEMBL5824277 0.81 TLR9 (0.66) TLR9CARM1TLR7
SCHEMBL5822415 0.81 PDE4B (0.53) TLR9TLR7ALDH1A1KDM4EMEN1
SCHEMBL5821888 0.80 DRD2 (0.56) TLR9CARM1TLR7CCNT1CDK9
SCHEMBL5824183 0.80 CCNT1 (0.39) ALDH1A1CCNT1CDK9KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006113458-A1 HETEROCYCLIC INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-26 WO disclosed
US-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2006-10-19 US disclosed
WO-2006089311-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-08-24 WO 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-20060235037-A1 Heterocyclic inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT8 TLR9 2751/4885CARM1 18/4885TLR7 2861/4885

“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.