SCHEMBL13664402

SCHEMBL13664402

COc1ccc(C(=O)N(C)CCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAD52 P43351 1/20 0.38
DRD4 P21917 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KCNK3 O14649 1/20 0.37
TP53 P04637 1/20 0.36
CNR1 P21554 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 1/20 0.36
CNR2 P34972 1/20 0.36
CCKAR P32238 2/20 0.36
HPGD P15428 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL13664363 0.95 MAPT (0.42) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664523 0.91 MAPT (0.39) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664508 0.88 CNR1 (0.42) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664521 0.88 CNR1 (0.42) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664398 0.86 NPC1 (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664310 0.86 CFTR (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664304 0.86 MAPT (0.41) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664566 0.85 ABCB1 (0.44) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664416 0.85 GAA (0.37) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664602 0.84 MAPT (0.43) MAPTPOLBTDP1L3MBTL1ALDH1A1

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 MAPT 4701/4885POLB 4851/4885GAA 2005/4885

“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.