SCHEMBL13664458

SCHEMBL13664458

COc1ccc2cc(C(=O)NCCCNc3c(C#N)c(C(=O)c4ccc(C)cc4)nn3-c3ccc(Cl)cc3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD4 P21917 5/20 0.42
DRD2 P14416 4/20 0.42
RAD52 P43351 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 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 0.94 CFTR (0.46) CFTRMAPTPOLBGAATDP1
SCHEMBL13664364 0.93 DRD4 (0.50) CFTRMAPTPOLBGAATDP1
SCHEMBL13664409 0.93 SLC6A4 (0.46) CFTRMAPTPOLBGAATDP1
SCHEMBL13664398 0.92 NPC1 (0.46) CFTRMAPTPOLBGAATDP1
SCHEMBL13664430 0.92 DRD2 (0.47) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664143 0.90 POLB (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664373 0.90 POLB (0.46) MAPTPOLBGAATDP1L3MBTL1
SCHEMBL13664429 0.89 CFTR (0.43) CFTRMAPTPOLBGAATDP1
SCHEMBL13664426 0.89 POLB (0.42) CFTRMAPTPOLBGAATDP1
SCHEMBL13664403 0.89 L3MBTL1 (0.46) MAPTPOLBGAATDP1L3MBTL1

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 CFTR 1209/4885MAPT 4701/4885POLB 4851/4885

“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.