SCHEMBL4454518

SCHEMBL4454518

Cc1cc(CC#N)c(C2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
STS P08842 3/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DPP4 P27487 1/20 0.39

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
SCHEMBL4465793 0.87 MAPT (0.47) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL4004428 0.87 MAPT (0.47) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL5150276 0.83 MAPT (0.44) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL4459077 0.82 MAPT (0.45) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL13671236 0.81 MAPT (0.46) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL5154507 0.81 MEN1 (0.42) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL13671244 0.80 MAPT (0.49) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL19212420 0.80 GPR119 (0.54) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL29707387 0.80 GPR119 (0.54) GPR119MAPTKDM4ETHRBMEN1
SCHEMBL19702760 0.80 MAPT (0.53) GPR119MAPTKDM4ETHRBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. 2009-10-08 US disclosed
US-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators 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-20090253744-A1 Acylated piperidine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R GPR119 17/4885MAPT 2788/4885KDM4E 347/4885

“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.