SCHEMBL5558097

SCHEMBL5558097

CC(C)(C)OC(=O)C(c1ccc(Cl)cc1)C(N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C19 P33261 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GABBR2 O75899 3/20 0.46
GABBR1 Q9UBS5 3/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.46
NFKB1 P19838 2/20 0.46
CYP1A2 P05177 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.42
NLRP3 Q96P20 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41

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
SCHEMBL1519893 0.88 FFAR1 (0.39) CYP2C19LMNAFFAR1CYP26A1
SCHEMBL1519892 0.87 FFAR1 (0.42) LMNAFFAR1APPCYP26A1
SCHEMBL1519829 0.86 FFAR1 (0.40) CYP2C9CYP2D6CYP2C19MEN1KMT2A
SCHEMBL2878286 0.86 CTSS (0.36) KMT2ACYP1A2
SCHEMBL1519857 0.86 MEN1 (0.40) MEN1KMT2AFFAR1
SCHEMBL1519634 0.84 APP (0.44) CYP2C9CYP2D6CYP2C19MEN1KMT2A
SCHEMBL1519753 0.84 FFAR1 (0.44) FFAR1
SCHEMBL6597704 0.84 KCNA5 (0.36) KMT2ALMNAFFAR1ATMHSD17B10
SCHEMBL1521461 0.82 LMNA (0.40) CYP2C9CYP2D6CYP2C19LMNACYP3A4
SCHEMBL10702507 0.81 FFAR2 (0.54) CYP2C9CYP2D6CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 US disclosed
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
EP-1603912-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 EP disclosed
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 WO disclosed
EP-1460073-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MyoContract Ltd. (CH) 2004-09-22 EP 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R CYP2C9 794/4885CYP2D6 789/4885CYP2C19 872/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R CYP2C9 4285/4885CYP2D6 3840/4885CYP2C19 2343/4885

“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.