SCHEMBL5729554

SCHEMBL5729554

CCOC(=O)C1=C(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 8/20 0.48
CHRM1 P11229 8/20 0.48
CHRM2 P08172 5/20 0.48
CHRM4 P08173 5/20 0.48
CHRM3 P20309 5/20 0.48
ADORA1 P30542 1/20 0.47
ESR2 Q92731 1/20 0.41
PRKCZ Q05513 1/20 0.41
NR1H2 P55055 1/20 0.41
MMP13 P45452 1/20 0.41
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
SLC34A1 Q06495 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
SCHEMBL14920221 0.91 ADORA1 (0.47) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL14920289 0.91 CHRM5 (0.50) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL18618579 0.90 ESR2 (0.50) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL25427702 0.89 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL5731017 0.89 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL2240101 0.89 CHRM5 (0.61) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL557123 0.89 ADORA1 (0.45) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL14920560 0.88 CHRM5 (0.49) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL951478 0.88 NR1H2 (0.47) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL1082057 0.87 CHRM5 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3

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-1372653-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2006-10-04 EP disclosed
US-7015235-B2 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2006-03-21 US disclosed
US-20060035935-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists GOULET MARK T 2006-02-16 US disclosed
EP-1372653-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2005-10-05 EP disclosed
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2004-05-20 US disclosed
EP-1372653-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-01-02 EP disclosed
WO-2002068387-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 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 (2 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-20060035935-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R CHRM5 287/4885CHRM1 556/4885CHRM2 643/4885
US-20040097546-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R CHRM5 287/4885CHRM1 556/4885CHRM2 643/4885

“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.