SCHEMBL4466332

SCHEMBL4466332

CC(C)(O)CC(C1CCN(C(=O)OC(C)(C)C)CC1)C1CCC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
GPR119 Q8TDV5 9/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.36
PDE4D Q08499 1/20 0.36
IDH1 O75874 1/20 0.36
IDH2 P48735 1/20 0.36

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
SCHEMBL4565080 0.86 GPR119 (0.39) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL2940070 0.84 DPP4 (0.40) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL13316251 0.73 HPGD (0.46) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL1059934 0.72 GPR119 (0.41) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL1059936 0.72 GPR119 (0.41) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL1059411 0.72 GPR119 (0.41) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL1059933 0.72 GPR119 (0.41) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL4546601 0.71 HPGD (0.55) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL6974258 0.71 HPGD (0.55) DPP4GPR119HPGDNPC1ALDH1A1
SCHEMBL13600068 0.70 GPR119 (0.56) DPP4GPR119HPGDNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773338-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2010-01-06 EP disclosed
US-7618987-B2 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK & CO., INC. (US) 2009-11-17 US disclosed
US-7618987-B2 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK & CO., INC. (US) 2009-11-17 US disclosed
US-7618987-B2 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK & CO., INC. (US) 2009-11-17 US disclosed
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 US disclosed
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 US disclosed
US-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MERCK SHARP & DOHME CORP. 2007-08-16 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-20070191433-A1 Acylated piperidine derivatives as melanocortin 4-receptor agonists MC4R, MC5R, MC3R DPP4 138/4885GPR119 12/4885HPGD 2385/4885

“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.