SCHEMBL13664442

SCHEMBL13664442

CCCCOc1ccc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc(C)cc3)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
BRD4 O60885 1/20 0.40
RAD52 P43351 1/20 0.39
NAMPT P43490 1/20 0.39
DGAT1 O75907 1/20 0.39
CNR1 P21554 1/20 0.39
CFTR P13569 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL13664397 0.95 NPC1 (0.48) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664310 0.92 CFTR (0.46) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664373 0.92 POLB (0.46) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664143 0.92 POLB (0.46) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664398 0.91 NPC1 (0.46) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664359 0.90 POLB (0.44) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664403 0.90 L3MBTL1 (0.46) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664468 0.89 NPC1 (0.43) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664487 0.89 NPC1 (0.43) NPC1MAPTTDP1L3MBTL1POLB
SCHEMBL13664426 0.89 POLB (0.42) NPC1MAPTTDP1L3MBTL1POLB

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 NPC1 2164/4885MAPT 4701/4885TDP1 4748/4885

“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.