SCHEMBL5643448

SCHEMBL5643448

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HSD11B1 P28845 1/20 0.42
CACNA1G O43497 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 5/20 0.36
SLC6A2 P23975 2/20 0.36
KDM1A O60341 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
EPHX2 P34913 1/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5643592 0.94 POLB (0.42) POLBHSD11B1CACNA1GL3MBTL1ALDH1A1
SCHEMBL14347862 0.86 POLB (0.46) POLBHSD11B1L3MBTL1ALDH1A1SLC6A4
SCHEMBL5643444 0.85 POLB (0.41) POLBHSD11B1L3MBTL1ALDH1A1SLC6A4
SCHEMBL14347894 0.83 HSD11B1 (0.46) POLBHSD11B1L3MBTL1ALDH1A1SLC6A4
SCHEMBL5645600 0.80 HSD11B1 (0.46) POLBHSD11B1L3MBTL1ALDH1A1SLC6A4
SCHEMBL14347824 0.79 POLB (0.49) POLBHSD11B1L3MBTL1ALDH1A1OPRM1
SCHEMBL2328355 0.78 POLB (0.43) POLBHSD11B1L3MBTL1ALDH1A1SLC6A4
SCHEMBL5643589 0.78 ALDH1A1 (0.41) POLBHSD11B1L3MBTL1ALDH1A1OPRM1
SCHEMBL27860794 0.76 GAA (0.48) POLBHSD11B1L3MBTL1ALDH1A1SLC6A4
SCHEMBL5369331 0.75 POLB (0.43) POLBHSD11B1L3MBTL1ALDH1A1SLC6A4

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 3 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
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 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 (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 474/4885CACNA1G 282/4885

“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.