SCHEMBL3168196

SCHEMBL3168196

Cc1c(N2CCCC2)ccc(C(=O)O)c1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
GPR119 Q8TDV5 11/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 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
SCHEMBL3161256 0.85 NPBWR1 (0.49) NPBWR1MCHR1GPR119KMT2AMEN1
SCHEMBL3160201 0.85 GPR119 (0.49) NPBWR1MCHR1GPR119KMT2AMEN1
SCHEMBL3164057 0.84 NPBWR1 (0.48) NPBWR1MCHR1GPR119KMT2AMEN1
SCHEMBL3157312 0.81 PDE4B (0.52) GPR119KMT2AMEN1USP2HPGD
SCHEMBL7354087 0.80 PDE4B (0.53) NPBWR1MCHR1GPR119PDE4B
SCHEMBL15013973 0.77 GPR119 (0.49) NPBWR1MCHR1GPR119KMT2AMEN1
SCHEMBL3164585 0.76 GPR119 (0.51) NPBWR1MCHR1GPR119KMT2AMEN1
SCHEMBL7406884 0.76 GPR119 (0.56) GPR119KMT2AMEN1HPGDHSD17B10
SCHEMBL3165306 0.75 GPR119 (0.48) NPBWR1MCHR1GPR119KMT2AMEN1
SCHEMBL23301265 0.75 GPR119 (0.58) GPR119KMT2AMEN1HPGDHSD17B10

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-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 NPBWR1 2758/4885MCHR1 4246/4885GPR119 2215/4885

“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.