SCHEMBL13664398

SCHEMBL13664398

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
CFTR P13569 1/20 0.44
RAB9A P51151 1/20 0.43
RAD52 P43351 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD4 P21917 3/20 0.42
DRD2 P14416 2/20 0.42
ABCB1 P08183 1/20 0.41
CNR1 P21554 2/20 0.41
BRD4 O60885 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13664310 0.98 CFTR (0.46) NPC1CFTRRAB9ARAD52POLB
SCHEMBL13664403 0.95 L3MBTL1 (0.46) NPC1POLBGAAMAPTTDP1
SCHEMBL13664373 0.93 POLB (0.46) NPC1POLBGAAMAPTTDP1
SCHEMBL13664143 0.93 POLB (0.46) NPC1POLBGAAMAPTTDP1
SCHEMBL13664458 0.92 CFTR (0.43) NPC1CFTRRAD52POLBGAA
SCHEMBL13664426 0.92 POLB (0.42) NPC1CFTRRAD52POLBGAA
SCHEMBL13664349 0.92 CNR1 (0.46) NPC1POLBGAAMAPTTDP1
SCHEMBL13664521 0.92 CNR1 (0.42) POLBGAAMAPTTDP1L3MBTL1
SCHEMBL13664397 0.91 NPC1 (0.48) NPC1CFTRRAB9ARAD52POLB
SCHEMBL13664364 0.91 DRD4 (0.50) CFTRPOLBGAAMAPTTDP1

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 2164/4885CFTR 1209/4885RAB9A 1252/4885

“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.