SCHEMBL5338065

SCHEMBL5338065

CCCCS(=O)(=O)Nc1ccccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.44
BACE1 P56817 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
TSHR P16473 3/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
PLA2G1B P04054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
NAMPT P43490 1/20 0.42
CNR2 P34972 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.42
ACHE P22303 1/20 0.42
TGFBR1 P36897 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL5340336 0.91 STS (0.44) STSBACE1CKS1BSKP1SKP2
SCHEMBL5336031 0.90 STS (0.48) STSBACE1SMN1; SMN2GAACKS1B
SCHEMBL5340137 0.84 STS (0.61) STSBACE1GAACKS1BSKP1
SCHEMBL4513123 0.83 NPY5R (0.48) STSBACE1SMN1; SMN2CKS1BSKP1
SCHEMBL7364830 0.82 TGFBR1 (0.54) SMN1; SMN2TSHRKMT2ALMNANPSR1
SCHEMBL5334602 0.81 BACE1 (0.46) STSBACE1CKS1BSKP1SKP2
SCHEMBL5338059 0.81 GLA (0.44) STSBACE1SMN1; SMN2GAACKS1B
SCHEMBL14355851 0.81 TSHR (0.46) SMN1; SMN2GAATSHRKMT2ALMNA
SCHEMBL5336255 0.80 MCOLN3 (0.62) STSGAAKMT2AMEN1TGFBR1
SCHEMBL14387753 0.80 BACE1 (0.46) STSBACE1CKS1BSKP1SKP2

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
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R STS 2096/4885BACE1 4081/4885SMN1; SMN2 1943/4885

“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.