SCHEMBL5208845

SCHEMBL5208845

CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.54
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.43
NAMPT P43490 2/20 0.43
UCHL1 P09936 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL205299 1.00 ACE (0.54) ACEMEN1KMT2AMAPK1NAMPT
SCHEMBL30626775 1.00 ACE (0.54) ACEMEN1KMT2AMAPK1NAMPT
SCHEMBL31038337 1.00 ACE (0.54) ACEMEN1KMT2AMAPK1NAMPT
SCHEMBL6482316 1.00 ACE (0.54) ACEMEN1KMT2AMAPK1NAMPT
SCHEMBL27393607 0.89 MEN1 (0.45) ACEMEN1KMT2AMAPK1NAMPT
SCHEMBL30944609 0.89 MEN1 (0.45) ACEMEN1KMT2AMAPK1NAMPT
SCHEMBL6251794 0.88 MEN1 (0.44) ACEMEN1KMT2AMAPK1NAMPT
SCHEMBL25960274 0.88 MEN1 (0.44) ACEMEN1KMT2AMAPK1NAMPT
SCHEMBL18066415 0.86 ACE (0.56) ACEUCHL1GPR119
SCHEMBL14744581 0.86 ACE (0.56) ACEUCHL1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1558253-A4 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2007-07-25 EP disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20050250814-A1 Piperidinyl-alpha-aminoamide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-11-10 US disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 EP disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
EP-1558253-A2 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 EP disclosed
US-20050070719-A1 Inhibitors of dipeptidyl peptidase iv GUILFORD PHARMACEUTICALS 2005-03-31 US disclosed
WO-2004042351-A2 PIPERIDINYL-ALPHA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 WO disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 US disclosed
US-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-03-25 US 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 (5 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R ACE 2426/4885MEN1 683/4885KMT2A 2707/4885
US-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists MC1R, MC4R, MC5R ACE 2963/4885MEN1 1304/4885KMT2A 2353/4885
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R ACE 3090/4885MEN1 1206/4885KMT2A 2374/4885
US-20050250814-A1 Piperidinyl-alpha-aminoamide modulators of chemokine receptor activity CCR2, CCR1, CCRL2 ACE 1992/4885MEN1 4327/4885KMT2A 1675/4885
US-20050070719-A1 Inhibitors of dipeptidyl peptidase iv DPP4, DPP3, DPP7 ACE 20/4885MEN1 3669/4885KMT2A 2929/4885

“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.