SCHEMBL5817065

SCHEMBL5817065

COc1ccccc1-c1cc2cc(C3=CCCN(C(=O)OC(C)(C)C)CC3)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.47
GRM5 P41594 1/20 0.47
GRM1 Q13255 1/20 0.47
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDK4 Q16654 1/20 0.42
NAMPT P43490 1/20 0.41
CNR1 P21554 1/20 0.40
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 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
SCHEMBL5950247 0.93 GRM5 (0.54) ABCB1GRM5GRM1KDM4EMEN1
SCHEMBL5821778 0.86 KDM4E (0.46) ABCB1GRM5GRM1KDM4EMEN1
SCHEMBL5822413 0.83 ABCB1 (0.52) ABCB1KDM4EMEN1ALDH1A1MAPT
SCHEMBL5824183 0.82 CCNT1 (0.39) ABCB1KDM4EMEN1ALDH1A1MAPT
SCHEMBL5821389 0.79 KDM4E (0.43) ABCB1GRM5GRM1KDM4EMEN1
SCHEMBL5822415 0.79 PDE4B (0.53) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL5821626 0.78 CCNT1 (0.42) ABCB1KDM4EMEN1ALDH1A1MAPT
SCHEMBL5824103 0.77 ABCB1 (0.41) ABCB1GRM5GRM1KDM4EMEN1
SCHEMBL5821181 0.76 KDM4E (0.41) ABCB1KDM4EMEN1ALDH1A1MAPT
SCHEMBL5821184 0.76 KDM4E (0.41) ABCB1KDM4EMEN1ALDH1A1MAPT

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
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

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 ABCB1 3406/4885GRM5 4231/4885GRM1 3388/4885

“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.