SCHEMBL3160757

SCHEMBL3160757

CN(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.48
TOP2A P11388 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
CACNB4 O00305 2/20 0.43
CACNA1A O00555 2/20 0.43
CACNA1G O43497 2/20 0.43
CACNG3 O60359 2/20 0.43
CACNA1F O60840 2/20 0.43
CACNA1H O95180 2/20 0.43
CACNB3 P54284 2/20 0.43
CACNA2D1 P54289 2/20 0.43
CACNG7 P62955 2/20 0.43
CACNA1B Q00975 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNB1 Q02641 2/20 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
SCHEMBL3160389 0.90 F10 (0.47) NR3C1TOP2A
SCHEMBL3165400 0.84 KDM1A (0.48) TOP2AMAPT
SCHEMBL3152154 0.83 F10 (0.51)
SCHEMBL3159114 0.82 F10 (0.49) NR3C1TOP2A
SCHEMBL3150808 0.79 F10 (0.46) NR3C1TOP2ARXFP1CACNB4CACNA1A
SCHEMBL3151487 0.79 F10 (0.48) NR3C1TOP2A
SCHEMBL3903282 0.78 GPR6 (0.44) TOP2AMAPTTP53THRBGPR6
SCHEMBL3160208 0.78 KDM4E (0.53) NR3C1TOP2AMEN1KMT2ACACNB4
SCHEMBL13902783 0.78 TOP2A (0.42) TOP2AMAPTTP53GPR6TGFBR1
SCHEMBL3156903 0.78 F10 (0.45) NR3C1TOP2ACACNB4CACNA1ACACNA1G

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 NR3C1 3590/4885TOP2A 4257/4885MEN1 1540/4885

“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.