SCHEMBL5368903

SCHEMBL5368903

CC(C)(C)OC(=O)N1CCN(c2ccccc2OCCN2CCOCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
KDM4E B2RXH2 3/20 0.51
AKR1C3 P42330 1/20 0.51
OXTR P30559 1/20 0.49
AVPR1A P37288 1/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
DRD2 P14416 4/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 1/20 0.46
EPHX2 P34913 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL5378527 0.90 CYP1A2 (0.52) KDM4EHTR1AHTR7DRD2DRD3
SCHEMBL5365831 0.85 DRD2 (0.48) KDM4EHTR1AHTR7DRD2DRD3
SCHEMBL14559955 0.81 OXTR (0.58) POLBKDM4EOXTRAVPR1ADRD2
SCHEMBL17276500 0.81 SMN1; SMN2 (0.62) AKR1C3USP2SMN1; SMN2ALDH1A1
SCHEMBL4928318 0.81 MAPT (0.54) TLR9TLR7SMN1; SMN2ALDH1A1EPHX2
SCHEMBL3332134 0.81 GPR119 (0.58) AKR1C3TLR9TLR7USP2SMN1; SMN2
SCHEMBL5336442 0.80 MGLL (0.53) AKR1C3DRD2DRD3USP2SMN1; SMN2
SCHEMBL23855531 0.80 GAA (0.49) KDM4EDRD2SMN1; SMN2ALDH1A1
SCHEMBL3231846 0.80 MAP4K4 (0.48) TLR9TLR7USP2SMN1; SMN2EPHX2
SCHEMBL23724067 0.79 TLR9 (0.53) KDM4ETLR9TLR7USP2SMN1; SMN2

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-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 EP disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 US disclosed
EP-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS 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-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R POLB 2866/4885KDM4E 2844/4885AKR1C3 1753/4885

“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.