SCHEMBL4832875

SCHEMBL4832875

CCC(=O)c1cc(C)c(C)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
TP53 P04637 3/20 0.45
GPR119 Q8TDV5 2/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
DPP4 P27487 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL13671236 0.91 MAPT (0.46) KDM4EMAPTTHRBTP53GPR119
SCHEMBL14065612 0.82 GPR119 (0.51) KDM4EMAPTTHRBGPR119POLB
SCHEMBL25817244 0.79 KDM4E (0.52) KDM4EMAPTTHRBTP53GPR119
SCHEMBL4455329 0.78 KMT2A (0.52) KDM4EMAPTTHRBTP53GPR119
SCHEMBL13671300 0.78 MAPT (0.48) KDM4EMAPTTHRBTP53GPR119
SCHEMBL1770366 0.77 KDM4E (0.52) KDM4EMAPTTHRBTP53GPR119
SCHEMBL3436365 0.76 GPR119 (0.58) KDM4EMAPTTHRBGPR119MEN1
SCHEMBL24717446 0.75 SMN1; SMN2 (0.52) KDM4EMAPTTHRBTP53GPR119
SCHEMBL19702760 0.75 MAPT (0.53) KDM4EMAPTTHRBGPR119ALDH1A1
SCHEMBL19013246 0.75 GPR119 (0.55) KDM4EMAPTTHRBTP53GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-20060128963-A1 Piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2006-06-15 US disclosed
EP-1648457-A2 PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-04-26 EP disclosed
WO-2005009950-A2 PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-02-03 WO 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-20060128963-A1 Piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC1R KDM4E 408/4885MAPT 2804/4885THRB 580/4885

“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.