SCHEMBL13664401

SCHEMBL13664401

COc1ccc(CC(=O)NCCCNc2c(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
ABCB1 P08183 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.41
PTGS2 P35354 7/20 0.40
PTGS1 P23219 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 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
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 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
SCHEMBL13664488 0.98 PTGS2 (0.41) ABCB1MAPTLMNAPOLBPTGS2
SCHEMBL13664405 0.95 MAPT (0.42) ABCB1MAPTLMNAPOLBMEN1
SCHEMBL13664362 0.95 MAPT (0.42) ABCB1MAPTLMNAPOLBMEN1
SCHEMBL13664368 0.92 KMT2A (0.39) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL13664310 0.91 CFTR (0.46) ABCB1MAPTPOLBKMT2AALDH1A1
SCHEMBL13664603 0.90 ABCB1 (0.46) ABCB1MAPTLMNAPOLBPTGS2
SCHEMBL13664566 0.89 ABCB1 (0.44) ABCB1MAPTLMNAPOLBPTGS2
SCHEMBL13664398 0.89 NPC1 (0.46) ABCB1MAPTPOLBKMT2AALDH1A1
SCHEMBL13664508 0.89 CNR1 (0.42) ABCB1MAPTPOLBPTGS2MEN1
SCHEMBL13664431 0.89 MAPT (0.39) ABCB1MAPTLMNAPOLBGAA

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 ABCB1 3329/4885MAPT 4701/4885LMNA 4188/4885

“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.