SCHEMBL13664395

SCHEMBL13664395

COc1ccc(C(=O)NCCCNc2c(C#N)c(C(=O)c3ccc4c(c3)OCO4)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
HPGD P15428 3/20 0.45
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
NPC1 O15118 4/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CFTR P13569 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41

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
SCHEMBL13664356 0.90 TSHR (0.47) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL13664474 0.88 RAB9A (0.43) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL13664310 0.86 CFTR (0.46) RAB9AHPGDDRD2NPC1RAD52
SCHEMBL13664415 0.86 RAB9A (0.42) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL13664424 0.85 NPC1 (0.45) RAB9AHPGDNPC1KMT2AMEN1
SCHEMBL13664398 0.85 NPC1 (0.46) RAB9AHPGDDRD2NPC1RAD52
SCHEMBL13664463 0.84 RHOC (0.42) RAB9AHPGDDRD2NPC1RAD52
SCHEMBL13664458 0.82 CFTR (0.43) HPGDDRD2NPC1RAD52ALDH1A1
SCHEMBL13664364 0.81 DRD4 (0.50) HPGDDRD2KMT2AMEN1ALDH1A1
SCHEMBL13664143 0.81 POLB (0.46) NPC1KMT2AMEN1MAPTLMNA

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 RAB9A 1252/4885HPGD 1323/4885DRD3 900/4885

“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.