SCHEMBL5645596

SCHEMBL5645596

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
PARP10 Q53GL7 7/20 0.41
PARP15 Q460N3 5/20 0.41
PARP2 Q9UGN5 2/20 0.41
POLB P06746 3/20 0.40
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP16 Q8N5Y8 1/20 0.37
PARP11 Q9NR21 1/20 0.37
PARP4 Q9UKK3 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
CYP3A4 P08684 1/20 0.36
PARP1 P09874 1/20 0.36
MAPT P10636 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
SCHEMBL5643048 0.93 HSD11B1 (0.40) HSD11B1PARP10PARP15PARP2POLB
SCHEMBL5645600 0.84 HSD11B1 (0.46) HSD11B1POLBLMNAL3MBTL1ALDH1A1
SCHEMBL5643444 0.83 POLB (0.41) HSD11B1PARP10PARP15PARP2POLB
SCHEMBL12836587 0.83 SLC6A4 (0.54) HSD11B1ALDH1A1CYP3A4TSHR
SCHEMBL17761217 0.83 HSD11B1 (0.66) HSD11B1KMT2A
SCHEMBL8350882 0.83 HSD11B1 (0.45) HSD11B1POLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL17761311 0.79 HSD11B1 (0.71) HSD11B1
SCHEMBL12836588 0.79 SLC6A4 (0.59) HSD11B1ALDH1A1
SCHEMBL15873720 0.79 HSD11B1 (0.49) HSD11B1POLBL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6490801 0.79 HSD11B1 (0.49) HSD11B1POLBLMNAL3MBTL1ALDH1A1

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 474/4885PARP10 840/4885PARP15 1219/4885

“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.