SCHEMBL13664475

SCHEMBL13664475

N#Cc1c(C(=O)c2ccc(C(F)(F)F)cc2)nn(-c2ccc(Cl)cc2)c1NCCCNC(=O)c1ccc2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
RHOC P08134 2/20 0.39
RHOA P61586 2/20 0.39
ORAI1 Q96D31 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 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
SCHEMBL13664412 0.91 ADRA1A (0.41) KCNH2HTR1AADRA2AADRA2BADRA2C
SCHEMBL13664435 0.85 RHOC (0.43) RHOCRHOALMNAHTTMAPT
SCHEMBL13664476 0.85 MAPT (0.39) KCNH2RHOCRHOALMNAHTT
SCHEMBL13664472 0.84 MALT1 (0.37) RHOCRHOAORAI1LMNAHTT
SCHEMBL13664463 0.84 RHOC (0.42) RHOCRHOALMNAHTTMAPT
SCHEMBL13664147 0.84 RHOC (0.40) RHOCRHOALMNAHTTMAPT
SCHEMBL13664474 0.83 RAB9A (0.43) RHOCRHOALMNAHTTMAPT
SCHEMBL13664437 0.83 RHOC (0.43) RHOCRHOALMNAHTTMAPT
SCHEMBL13664413 0.82 NPC1 (0.45) DRD3MAPTMEN1GAAKMT2A
SCHEMBL13664409 0.81 SLC6A4 (0.46) HTR1AADRA1ADRD3MAPTGAA

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 KCNH2 2150/4885HTR1A 389/4885ADRA2A 345/4885

“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.