SCHEMBL5643444

SCHEMBL5643444

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HSD11B1 P28845 2/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
NNMT P40261 1/20 0.36
PARP15 Q460N3 2/20 0.36
PARP10 Q53GL7 2/20 0.36
PARP2 Q9UGN5 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 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
SCHEMBL5643589 0.94 ALDH1A1 (0.41) POLBHSD11B1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL5643448 0.85 POLB (0.46) POLBHSD11B1ALDH1A1L3MBTL1LMNA
SCHEMBL14347862 0.83 POLB (0.46) POLBHSD11B1ALDH1A1L3MBTL1LMNA
SCHEMBL5645596 0.83 HSD11B1 (0.45) POLBHSD11B1ALDH1A1L3MBTL1LMNA
SCHEMBL14347894 0.80 HSD11B1 (0.46) POLBHSD11B1ALDH1A1L3MBTL1LMNA
SCHEMBL5642497 0.79 POLB (0.41) POLBHSD11B1ALDH1A1L3MBTL1LMNA
SCHEMBL5643592 0.78 POLB (0.42) POLBHSD11B1ALDH1A1L3MBTL1KMT2A
SCHEMBL14347824 0.76 POLB (0.49) POLBHSD11B1ALDH1A1L3MBTL1LMNA
SCHEMBL5643048 0.76 HSD11B1 (0.40) POLBHSD11B1ALDH1A1L3MBTL1KMT2A
SCHEMBL5646478 0.73 EPHX2 (0.41) POLBHSD11B1LMNASLC6A4SLC6A3

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 POLB 3904/4885HSD11B1 474/4885ALDH1A1 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.