SCHEMBL5232835

SCHEMBL5232835

COC(=O)C(C)c1cc(Cl)ccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
PDK4 Q16654 1/20 0.51
JAK1 P23458 1/20 0.45
CDK7 P50613 1/20 0.44
CDK13 Q14004 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
NAMPT P43490 1/20 0.43
HTR6 P50406 1/20 0.43
GRM1 Q13255 8/20 0.42
GRM5 P41594 7/20 0.42
SCN9A Q15858 2/20 0.42
DGAT2 Q96PD7 1/20 0.42
FGFR1 P11362 1/20 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
SCHEMBL3120011 0.88 CNR1 (0.54) CNR1PDK4JAK1CDK7CDK13
SCHEMBL6870916 0.87 CCR1 (0.41) CNR1PDK4
SCHEMBL19701841 0.83 CNR1 (0.55) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL4888709 0.83 CNR1 (0.53) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL27598379 0.82 CNR1 (0.49) CNR1PDK4JAK1CDK7CDK13
SCHEMBL27598382 0.82 CNR1 (0.49) CNR1PDK4JAK1CDK7CDK13
SCHEMBL4825697 0.81 CNR1 (0.54) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL4321326 0.81 CNR1 (0.55) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL31342210 0.80 CNR1 (0.55) CNR1PDK4JAK1NAMPTHTR6
SCHEMBL15556190 0.80 CNR1 (0.55) CNR1PDK4JAK1NAMPTHTR6

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-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 CNR1 229/4885PDK4 1273/4885JAK1 3441/4885
US-20040266821-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R CNR1 229/4885PDK4 1273/4885JAK1 3441/4885

“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.