SCHEMBL5226078

SCHEMBL5226078

COC(=O)Cc1cc(Cl)ccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.52
CNR1 P21554 2/20 0.50
DGAT2 Q96PD7 1/20 0.46
JAK1 P23458 1/20 0.45
NAMPT P43490 1/20 0.44
HTR6 P50406 1/20 0.44
GRM1 Q13255 8/20 0.43
GRM5 P41594 7/20 0.43
SCN9A Q15858 2/20 0.42
EED O75530 2/20 0.40
RBBP4 Q09028 2/20 0.40
SUZ12 Q15022 2/20 0.40
EZH2 Q15910 2/20 0.40

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
SCHEMBL6869489 0.86 MAPT (0.41) CNR1
SCHEMBL12712665 0.85 PDK4 (0.64) PDK4CNR1DGAT2JAK1NAMPT
SCHEMBL4888709 0.83 CNR1 (0.53) PDK4CNR1DGAT2JAK1NAMPT
SCHEMBL4825697 0.82 CNR1 (0.54) PDK4CNR1DGAT2JAK1NAMPT
SCHEMBL19701841 0.82 CNR1 (0.55) PDK4CNR1DGAT2JAK1NAMPT
SCHEMBL12713137 0.82 CNR1 (0.48) PDK4CNR1DGAT2JAK1NAMPT
SCHEMBL15556190 0.81 CNR1 (0.55) PDK4CNR1JAK1NAMPTHTR6
SCHEMBL31342210 0.81 CNR1 (0.55) PDK4CNR1JAK1NAMPTHTR6
SCHEMBL4320016 0.80 CNR1 (0.54) PDK4CNR1JAK1NAMPTHTR6
SCHEMBL12713194 0.80 CNR1 (0.49) PDK4CNR1DGAT2JAK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383501-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-04-04 EP disclosed
EP-1383501-B1 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-04-04 EP disclosed
EP-1383501-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2005-10-12 EP disclosed
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists UJJAINWALLA FEROZE 2004-12-30 US disclosed
US-6818658-B2 TREATING OBESITY, DIABETES, SEXUAL DYSFUNCTION, INCLUDING ERECTILE DYSFUNCTION AND FEMALE SEXUAL DYSFUNCTION. MERCK & CO., INC. 2004-11-16 US disclosed
EP-1383501-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-01-28 EP disclosed
US-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2003-12-04 US disclosed
WO-2002068388-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-20030225060-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R PDK4 1273/4885CNR1 229/4885DGAT2 1054/4885
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R PDK4 1273/4885CNR1 229/4885DGAT2 1054/4885

“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.