SCHEMBL5144768

SCHEMBL5144768

CN1CCC(C2CCN(C(=O)[C@@H](CN3CCOCC3)NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
CTSK P43235 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
PABPC1 P11940 1/20 0.38
RECQL P46063 1/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CALCRL Q16602 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CTSD P07339 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL5142491 0.89 CALCRL (0.43) TSHRKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5143114 0.89 CALCRL (0.42) TSHRKMT2AMEN1MAPK1CD274
SCHEMBL5891135 0.85 CTSK (0.44) TSHRKMT2AMEN1MAPK1CTSK
SCHEMBL5141590 0.83 TSHR (0.46) TSHRKMT2AMEN1MAPK1CTSK
SCHEMBL5141638 0.81 TSHR (0.45) TSHRKMT2AMEN1MAPK1CTSK
SCHEMBL4685418 0.81 KMT2A (0.57) TSHRKMT2AMEN1MAPK1CTSK
SCHEMBL5141678 0.81 TSHR (0.52) TSHRKMT2AMEN1MAPK1CTSK
SCHEMBL5144916 0.78 TSHR (0.47) TSHRKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5891850 0.78 CTSS (0.54) TSHRKMT2AMEN1MAPK1CTSK
SCHEMBL5144894 0.78 TSHR (0.64) TSHRKMT2AMEN1MAPK1CTSK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297706-B2 Certain glycine derivatives as factor Xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY (US) 2007-11-20 US disclosed
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS WILEY MICHAEL R 2007-03-29 US disclosed
US-7078415-B2 Certain glycine derivatives as factor Xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY (US) 2006-07-18 US disclosed
EP-1455787-B1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS LILLY CO ELI (US) 2005-06-22 EP disclosed
US-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders ELI LILLY AND COMPANY 2004-12-09 US disclosed
EP-1455787-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS ELI LILLY AND COMPANY (US) 2004-09-15 EP disclosed
WO-2003049735-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR XA INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-06-19 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 (2 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-20040249155-A1 Certain glycine derivatives as factor xa inhibitors for use in the treatment of thrombotic disorders F2, F11, SERPINC1 TSHR 1725/4885KMT2A 1991/4885MEN1 550/4885
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS F2, F11, F12 TSHR 1266/4885KMT2A 1860/4885MEN1 831/4885

“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.