SCHEMBL13664360

SCHEMBL13664360

Cc1ccc(C(=O)c2nn(-c3ccc(Cl)cc3)c(NCCCNC(=O)c3cccc(F)c3)c2C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.42
TP53 P04637 2/20 0.41
ABCB1 P08183 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD4 P21917 5/20 0.40
DRD2 P14416 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CFTR P13569 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PMP22 Q01453 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
SCHEMBL13664372 0.93 CNR1 (0.47) CNR1TP53ABCB1MAPTGAA
SCHEMBL13664347 0.93 CNR1 (0.43) CNR1TP53MAPTGAAPOLB
SCHEMBL13664404 0.92 CNR1 (0.46) CNR1TP53ABCB1MAPTGAA
SCHEMBL13664364 0.92 DRD4 (0.50) CNR1TP53MAPTGAAPOLB
SCHEMBL13664354 0.91 POLB (0.43) CNR1TP53MAPTGAAPOLB
SCHEMBL13664329 0.90 CNR1 (0.46) CNR1ABCB1MAPTGAAPOLB
SCHEMBL13664143 0.90 POLB (0.46) CNR1MAPTGAAPOLBTDP1
SCHEMBL13664373 0.90 POLB (0.46) CNR1MAPTGAAPOLBTDP1
SCHEMBL13664437 0.90 RHOC (0.43) CNR1MAPTGAAPOLBTDP1
SCHEMBL13664349 0.89 CNR1 (0.46) CNR1ABCB1MAPTGAAPOLB

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 CNR1 367/4885TP53 4001/4885ABCB1 3329/4885

“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.