SCHEMBL5645600

SCHEMBL5645600

NC(=O)CC1(c2ccc(N)cc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A3 Q01959 8/20 0.36
SLC6A4 P31645 7/20 0.36
F10 P00742 1/20 0.35
SLC6A2 P23975 4/20 0.35
DPP4 P27487 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL5643052 0.93 HSD11B1 (0.41) HSD11B1POLBALDH1A1L3MBTL1F10
SCHEMBL17761217 0.84 HSD11B1 (0.66) HSD11B1SLC6A3SLC6A4SLC6A2
SCHEMBL12836587 0.84 SLC6A4 (0.54) HSD11B1ALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL8350882 0.84 HSD11B1 (0.45) HSD11B1POLBALDH1A1L3MBTL1SLC6A3
SCHEMBL5645596 0.84 HSD11B1 (0.45) HSD11B1POLBALDH1A1L3MBTL1LMNA
SCHEMBL12836588 0.81 SLC6A4 (0.59) HSD11B1ALDH1A1SLC6A3SLC6A4SLC6A2
SCHEMBL17761311 0.81 HSD11B1 (0.71) HSD11B1SLC6A3SLC6A4SLC6A2
SCHEMBL6490801 0.81 HSD11B1 (0.49) HSD11B1POLBALDH1A1L3MBTL1SLC6A3
SCHEMBL15873720 0.81 HSD11B1 (0.49) HSD11B1POLBALDH1A1L3MBTL1SLC6A3
SCHEMBL2328355 0.80 POLB (0.43) HSD11B1POLBALDH1A1L3MBTL1SLC6A3

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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US claimed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 EP disclosed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 EP disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 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 (1 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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT HSD11B1 474/4885POLB 3904/4885ALDH1A1 2197/4885

“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.