SCHEMBL4701818

SCHEMBL4701818

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2ccccc2NC(=O)OCC2c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.45
PABPC1 P11940 1/20 0.45
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
MC4R P32245 3/20 0.41
CHRM3 P20309 1/20 0.40
CCR1 P32246 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40
SCN9A Q15858 1/20 0.40
CACNA1B Q00975 1/20 0.39
MDM2 Q00987 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
SCHEMBL4701561 0.87 MC4R (0.41) KMT2AMAPK1PABPC1MC4RMC5R
Hydrochloric Acid SCHEMBL4699869 0.84 AKT1 (0.43) CHRM3CCR1
SCHEMBL4698174 0.84 TACR1 (0.53) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL4756442 0.83 MC4R (0.40) KMT2AMC4RMC5RMC3RMC1R
SCHEMBL6321208 0.80 BACE1 (0.48) KMT2ACHRM3
SCHEMBL4699053 0.80 KMT2A (0.53) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL4699544 0.80 KMT2A (0.53) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL2855134 0.79 MDM4 (0.47) KMT2AMDM2
SCHEMBL2855137 0.79 MDM4 (0.47) KMT2AMDM2
SCHEMBL4700300 0.78 KMT2A (0.49) KMT2AMAPK1PABPC1HRH2HRH1

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
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R KMT2A 1616/4885MAPK1 1906/4885PABPC1 4288/4885

“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.