SCHEMBL5142491

SCHEMBL5142491

CN1CCC(C2CCN(C(=O)[C@@H](CN3CCCCC3)NC(=O)OC(C)(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ITGB3 P05106 9/20 0.41
ITGA2B P08514 9/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
PABPC1 P11940 1/20 0.39

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
SCHEMBL5144768 0.89 TSHR (0.41) CALCRLTSHRKMT2AMEN1ITGB3
SCHEMBL5141586 0.88 CALCRL (0.49) CALCRLTSHRKMT2AITGB3ITGA2B
SCHEMBL5141590 0.85 TSHR (0.46) CALCRLTSHRKMT2AMEN1ITGB3
SCHEMBL5891850 0.84 CTSS (0.54) CALCRLTSHRKMT2AMEN1ITGB3
SCHEMBL5141678 0.83 TSHR (0.52) CALCRLTSHRKMT2AMEN1ITGB3
SCHEMBL4685418 0.83 KMT2A (0.57) TSHRKMT2AMEN1MAPK1ALDH1A1
SCHEMBL5141638 0.83 TSHR (0.45) CALCRLTSHRKMT2AMEN1ITGB3
SCHEMBL5144916 0.80 TSHR (0.47) CALCRLTSHRKMT2AMEN1ITGB3
SCHEMBL5144894 0.80 TSHR (0.64) TSHRKMT2AMEN1ITGB3ITGA2B
SCHEMBL3601175 0.80 CALCRL (0.51) CALCRLTSHRKMT2AMEN1ITGB3

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 CALCRL 1595/4885TSHR 1725/4885KMT2A 1991/4885
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS F2, F11, F12 CALCRL 1949/4885TSHR 1266/4885KMT2A 1860/4885

“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.