SCHEMBL5950247

SCHEMBL5950247

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
GRM1 Q13255 2/20 0.54
PDK4 Q16654 1/20 0.49
NAMPT P43490 1/20 0.49
ABCB1 P08183 5/20 0.48
CNR1 P21554 1/20 0.46
CCNT1 O60563 5/20 0.44
CDK9 P50750 5/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
QDPR P09417 1/20 0.44
BRD4 O60885 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL5817065 0.93 ABCB1 (0.47) GRM5GRM1PDK4NAMPTABCB1
SCHEMBL5821778 0.91 KDM4E (0.46) GRM5GRM1PDK4NAMPTABCB1
SCHEMBL5822413 0.88 ABCB1 (0.52) ABCB1CCNT1CDK9KDM4EMEN1
SCHEMBL5821596 0.83 GRM5 (0.51) GRM5GRM1PDK4NAMPTCNR1
SCHEMBL5821389 0.82 KDM4E (0.43) GRM5GRM1ABCB1CCNT1CDK9
SCHEMBL29580432 0.81 PDK4 (0.67) GRM5GRM1PDK4NAMPTCNR1
SCHEMBL4859866 0.81 PDK4 (0.67) GRM5GRM1PDK4NAMPTCNR1
SCHEMBL5821626 0.81 CCNT1 (0.42) ABCB1CCNT1CDK9KDM4EMEN1
SCHEMBL5824103 0.80 ABCB1 (0.41) GRM5GRM1ABCB1KDM4EMEN1
SCHEMBL5816276 0.80 KDM4E (0.50) ABCB1CCNT1CDK9KDM4EMEN1

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-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 GRM5 4231/4885GRM1 3388/4885PDK4 2813/4885

“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.