SCHEMBL3537265

SCHEMBL3537265

CN1CCC(N2CCN(C(=O)Cc3csc(NC(=O)OC(C)(C)C)n3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.66
F2 P00734 4/20 0.66
HSD11B1 P28845 2/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
SIRT1 Q96EB6 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL28391886 0.91 F2 (0.55) F10F2HSD11B1HSD17B1HSD17B2
SCHEMBL30932919 0.90 HSD11B1 (0.52) F10F2HSD11B1HSD17B1HSD17B2
SCHEMBL19820646 0.90 F2 (0.53) F10F2HSD11B1HSD17B1HSD17B2
SCHEMBL20649325 0.89 F2 (0.52) F10F2HSD11B1HSD17B1HSD17B2
SCHEMBL28396135 0.86 F2 (0.50) F10F2HSD11B1HSD17B1HSD17B2
SCHEMBL13368322 0.86 F10 (0.73) F10F2HSD11B1HSD17B1HSD17B2
SCHEMBL28397380 0.84 F2 (0.47) F10F2SIRT1
SCHEMBL28401073 0.83 F2 (0.47) F10F2HSD11B1HSD17B1HSD17B2
SCHEMBL20649166 0.82 SIRT1 (0.46) F10F2HSD11B1HSD17B1HSD17B2
SCHEMBL20649327 0.81 SIRT1 (0.46) F10F2HSD11B1HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-7718659-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2010-05-18 US disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US disclosed
EP-1846381-B1 HETEROARYLACETAMIDES AS FACTOR Xa INHIBITORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
EP-1846381-B1 HETEROARYLACETAMIDES AS FACTOR Xa INHIBITORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
US-7361672-B2 Heteroarylacetamide inhibitors of factor Xa HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
EP-1846381-A2 NOVEL HETEROARYLACETAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2007-10-24 EP disclosed
US-20060142362-A1 Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 US disclosed
WO-2006066778-A2 NOVEL HETEROARYLACETAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 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-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa F12, TFPI, F2 F10 9/4885F2 3/4885HSD11B1 2306/4885
US-20060142362-A1 Pyrazoles, triazoles, or tetrazoles substituted with an aryl- or heteroarylcarbonylamino group and an aminocarbonylmethyl group: 5-chloro-thiophene-2-carboxylic acid (1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-1H-[1,2,4]triazol-3-yl)-amide; improved selectivity towards thrombin F2, TFPI, F11 F10 24/4885F2 1/4885HSD11B1 2415/4885

“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.