SCHEMBL5333872

SCHEMBL5333872

CC(C)(C)OC(=O)N1CCN(c2ccccc2NCCCCl)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
SLC2A1 P11166 1/20 0.44
NAMPT P43490 1/20 0.44
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44
POLB P06746 1/20 0.43
KIT P10721 1/20 0.43
SCD O00767 1/20 0.43
SCD5 Q86SK9 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43

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
SCHEMBL8985828 0.84 ACHE (0.50) ACHEBACE1CKS1BSKP1SKP2
SCHEMBL24641976 0.84 ACHE (0.53) ACHEBACE1CKS1BSKP1SKP2
SCHEMBL30017339 0.84 ACHE (0.53) ACHEBACE1CKS1BSKP1SKP2
SCHEMBL5340336 0.83 STS (0.44) ACHEBACE1CKS1BSKP1SKP2
SCHEMBL5335839 0.81 ACHE (0.47) ACHEBACE1CKS1BSKP1SKP2
SCHEMBL4513123 0.79 NPY5R (0.48) BACE1CKS1BSKP1SKP2NAMPT
SCHEMBL17491558 0.78 NAMPT (0.52) BACE1NAMPTGPR119SMARCA2SMARCA4
SCHEMBL25634800 0.78 BACE1 (0.49) ACHEBACE1CKS1BSKP1SKP2
SCHEMBL9867213 0.78 ACHE (0.45) ACHEBACE1CKS1BSKP1SKP2
SCHEMBL14387596 0.78 ACHE (0.52) ACHEBACE1CKS1BSKP1SKP2

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
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 ACHE 3483/4885BACE1 4081/4885CKS1B 4539/4885

“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.