SCHEMBL13664483

SCHEMBL13664483

COc1c(Br)cc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.40
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.38
CNR2 P34972 2/20 0.37
BRD4 O60885 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CFTR P13569 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
SCHEMBL13664467 0.92 KDM4E (0.49) GAAL3MBTL1POLBMAPTTDP1
SCHEMBL13664459 0.91 MAPT (0.43) CNR1GAAL3MBTL1POLBMAPT
SCHEMBL13664373 0.90 POLB (0.46) CNR1GAAL3MBTL1POLBMAPT
SCHEMBL13664143 0.90 POLB (0.46) CNR1GAAL3MBTL1POLBMAPT
SCHEMBL13664310 0.88 CFTR (0.46) CNR1GAAL3MBTL1POLBMAPT
SCHEMBL13664426 0.88 POLB (0.42) CNR1GAAL3MBTL1POLBMAPT
SCHEMBL13664403 0.88 L3MBTL1 (0.46) CNR1GAAL3MBTL1POLBMAPT
SCHEMBL13664364 0.88 DRD4 (0.50) CNR1GAAL3MBTL1POLBMAPT
SCHEMBL13664458 0.87 CFTR (0.43) CNR1GAAL3MBTL1POLBMAPT
SCHEMBL13664398 0.87 NPC1 (0.46) CNR1GAAL3MBTL1POLBMAPT

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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-08 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-20090253673-A1 Substituted Pyrazoles as Ghrelin Receptor Antagonists GIPR, GPR119, GLP1R CNR1 367/4885GAA 2005/4885L3MBTL1 3707/4885

“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.