SCHEMBL13664488

SCHEMBL13664488

COc1ccc(CC(=O)NCCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.41
PTGS1 P23219 2/20 0.41
ABCB1 P08183 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
VNN1 O95497 1/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL13664401 0.98 ABCB1 (0.41) PTGS2PTGS1ABCB1MAPTPOLB
SCHEMBL13664362 0.94 MAPT (0.42) ABCB1MAPTPOLBLMNAMEN1
SCHEMBL13664405 0.94 MAPT (0.42) ABCB1MAPTPOLBLMNAMEN1
SCHEMBL13664398 0.91 NPC1 (0.46) ABCB1MAPTPOLBKMT2AALDH1A1
SCHEMBL13664368 0.90 KMT2A (0.39) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL13664304 0.90 MAPT (0.41) ABCB1MAPTPOLBLMNAMEN1
SCHEMBL13664310 0.89 CFTR (0.46) ABCB1MAPTPOLBKMT2AALDH1A1
SCHEMBL13664521 0.89 CNR1 (0.42) PTGS2ABCB1MAPTPOLBMEN1
SCHEMBL13664603 0.89 ABCB1 (0.46) PTGS2ABCB1MAPTPOLBLMNA
SCHEMBL13664406 0.88 ABCB1 (0.39) ABCB1MAPTPOLBMEN1KMT2A

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 PTGS2 3141/4885PTGS1 2323/4885ABCB1 3329/4885

“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.