SCHEMBL3545335

SCHEMBL3545335

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.56
F10 P00742 2/20 0.56
GABRA5 P31644 1/20 0.45
GABRB2 P47870 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACHE P22303 1/20 0.43
HSD11B1 P28845 2/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GSK3B P49841 1/20 0.36
DYRK1A Q13627 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
SCHEMBL3538064 0.95 F10 (0.61) F2F10GABRA5GABRB2HSD17B10
Bromide SCHEMBL3539685 0.94 F10 (0.60) F2F10GABRA5GABRB2HSD17B10
SCHEMBL20648977 0.88 F2 (0.46) F2F10GABRA5GABRB2HSD17B10
SCHEMBL19820647 0.88 HSD17B10 (0.47) F2F10GABRA5GABRB2HSD17B10
SCHEMBL14159379 0.88 GABRA5 (0.54) F2F10GABRA5GABRB2HSD17B10
Hydrochloric Acid SCHEMBL20640317 0.87 HSD17B10 (0.46) F2F10GABRA5GABRB2HSD17B10
Hydrochloric Acid SCHEMBL19814023 0.87 HSD17B10 (0.46) F2F10GABRA5GABRB2HSD17B10
SCHEMBL21875723 0.86 F2 (0.45) F2F10GABRA5GABRB2HSD17B10
SCHEMBL3545333 0.86 F2 (0.54) F2F10ACHEHSD11B1HSD17B1
SCHEMBL20640293 0.86 KDM4E (0.51) F2F10GABRA5GABRB2HSD17B10

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 6 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
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

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 9/4885GABRA5 1783/4885
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 24/4885GABRA5 1012/4885

“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.