SCHEMBL5144831

SCHEMBL5144831

CSC[C@@H](N)C(=O)N1CCC(C2CCN(C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.42
GNAO1 P09471 3/20 0.42
GNAI1 P63096 3/20 0.42
DPP7 Q9UHL4 3/20 0.36
F10 P00742 1/20 0.35
DPP4 P27487 6/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33

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
Hydrochloric Acid SCHEMBL5141608 0.98 GNAI3 (0.44) GNAI3GNAO1GNAI1DPP7F10
SCHEMBL5142523 0.87 GNAI3 (0.40) GNAI3GNAO1GNAI1DPP7F10
SCHEMBL5143213 0.87 GAA (0.43) GNAI3GNAO1GNAI1DPP7DPP4
Hydrochloric Acid SCHEMBL5145962 0.85 GNAI3 (0.42) GNAI3GNAO1GNAI1DPP7F10
Hydrochloric Acid SCHEMBL5144943 0.85 GAA (0.42) GNAI3GNAO1GNAI1DPP7DPP4
SCHEMBL5141641 0.84 GNAI3 (0.44) GNAI3GNAO1GNAI1DPP7F10
Hydrochloric Acid SCHEMBL5142848 0.83 GNAI3 (0.47) GNAI3GNAO1GNAI1DPP7F10
SCHEMBL6600415 0.81 DPP4 (0.47) GNAI3GNAO1GNAI1DPP7DPP4
SCHEMBL4678248 0.81 DPP4 (0.47) GNAI3GNAO1GNAI1DPP7DPP4
SCHEMBL5143220 0.81 GNAI3 (0.42) GNAI3GNAO1GNAI1DPP7F10

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 GNAI3 760/4885GNAO1 227/4885GNAI1 217/4885
US-20070072869-A1 CERTAIN GLYCINE DERIVATIVES AS FACTOR Xa INHIBITORS FOR USE IN THE TREATMENT OF THROMBOTIC DISORDERS F2, F11, F12 GNAI3 874/4885GNAO1 294/4885GNAI1 506/4885

“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.