SCHEMBL13664603

SCHEMBL13664603

COc1ccc(CNC(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.46
GSR P00390 4/20 0.42
VNN1 O95497 2/20 0.41
LMNA P02545 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 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
SCHEMBL13664566 0.92 ABCB1 (0.44) ABCB1VNN1LMNARXFP1MAPT
SCHEMBL13664401 0.90 ABCB1 (0.41) ABCB1VNN1LMNARXFP1MAPT
SCHEMBL13664589 0.90 MAPT (0.46) LMNAMAPTMEN1ALDH1A1KMT2A
SCHEMBL13664310 0.90 CFTR (0.46) ABCB1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL13664488 0.89 PTGS2 (0.41) ABCB1VNN1LMNARXFP1MAPT
SCHEMBL13664398 0.88 NPC1 (0.46) ABCB1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL13664508 0.88 CNR1 (0.42) ABCB1VNN1MAPTMEN1ALDH1A1
SCHEMBL13664304 0.88 MAPT (0.41) ABCB1VNN1LMNAMAPTMEN1
SCHEMBL13664521 0.86 CNR1 (0.42) ABCB1MAPTMEN1ALDH1A1KMT2A
SCHEMBL13664591 0.86 L3MBTL1 (0.42) ABCB1LMNAMAPTALDH1A1POLB

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 3329/4885GSR 471/4885VNN1 3005/4885

“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.