SCHEMBL3545333

SCHEMBL3545333

CN1CCN(C2CCN(C(=O)Cc3csc(C(N)=O)n3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.54
F10 P00742 2/20 0.54
ACHE P22303 1/20 0.42
HSD11B1 P28845 2/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
RET P07949 2/20 0.36
ROS1 P08922 2/20 0.36
FLT3 P36888 2/20 0.36
EML4 Q9HC35 2/20 0.36
ALK Q9UM73 2/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL3538059 0.96 F10 (0.59) F2F10ACHEHSD11B1HSD17B1
SCHEMBL3545335 0.86 F2 (0.56) F2F10ACHEHSD11B1HSD17B1
SCHEMBL3538064 0.82 F10 (0.61) F2F10ACHEHSD11B1HSD17B1
Bromide SCHEMBL3539685 0.81 F10 (0.60) F2F10ACHEHSD11B1HSD17B1
SCHEMBL3541855 0.80 F2 (0.56) F2F10ACHEHSD11B1HSD17B1
SCHEMBL27713515 0.79 F2 (0.55) F2F10ACHEHSD11B1HSD17B1
SCHEMBL13368322 0.76 F10 (0.73) F2F10ACHEHSD11B1HSD17B1
SCHEMBL20648977 0.75 F2 (0.46) F2F10LMNAKDM4EALDH1A1
SCHEMBL19820647 0.74 HSD17B10 (0.47) F2F10ACHEL3MBTL3L3MBTL1
SCHEMBL3541857 0.74 F10 (0.93) F2F10HSD11B1HSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146550-A1 HETEROARYLACETAMIDE INHIBITORS OF FACTOR Xa BOEHRINGER MARKUS 2008-06-19 US claimed
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
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
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 F2 3/4885F10 9/4885ACHE 78/4885
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 F2 1/4885F10 24/4885ACHE 523/4885

“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.