SCHEMBL3543043

SCHEMBL3543043

CN1CCC(N2CCN(C(=O)Cn3ccc(N)n3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.58
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4C Q9H3R0 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
ACHE P22303 1/20 0.42
F2 P00734 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3543041 0.86 F10 (0.56) F10L3MBTL3L3MBTL1KDM4CIRAK4
SCHEMBL3542891 0.81 F10 (0.57) F10L3MBTL3L3MBTL1IRAK4ACHE
SCHEMBL31052605 0.78 PKM (0.59) SMN1; SMN2PKMALDH1A1
SCHEMBL3539769 0.77 F10 (0.74) F10L3MBTL3L3MBTL1IRAK4F2
SCHEMBL3542890 0.77 F10 (0.55) F10L3MBTL3L3MBTL1IRAK4ACHE
SCHEMBL8266530 0.74 F10 (1.00) F10L3MBTL3L3MBTL1IRAK4F2
SCHEMBL24802129 0.72 ALDH1A1 (0.49) F10L3MBTL3L3MBTL1ACHESMN1; SMN2
SCHEMBL4678853 0.72 L3MBTL3 (0.50) F10L3MBTL3L3MBTL1ACHEF2
SCHEMBL24204406 0.70 ALDH1A1 (0.45) F10L3MBTL3L3MBTL1ACHEF2
SCHEMBL13612604 0.70 L3MBTL3 (0.51) F10L3MBTL3L3MBTL1ACHEF2

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-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 F10 9/4885L3MBTL3 4756/4885L3MBTL1 4703/4885
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 24/4885L3MBTL3 4553/4885L3MBTL1 4432/4885

“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.