SCHEMBL5644547

SCHEMBL5644547

O=C(CBr)C1(c2ccc(I)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.35
▸ HSD11B1 P28845 3/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ TPMT P51580 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AKR1C1 Q04828 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL1769917 0.81 HSD11B1 (0.51) OPRM1HSD11B1GSK3BALDH1A1SMN1; SMN2
SCHEMBL19207553 0.81 AKR1C1 (0.52) OPRM1HSD11B1GSK3BSMN1; SMN2AKR1C1
SCHEMBL23578123 0.77 GSK3B (0.50) OPRM1HSD11B1GSK3BAKR1C1
SCHEMBL4490927 0.76 AKR1C1 (0.55) OPRM1TPMTAKR1C1
SCHEMBL1769960 0.75 HDAC4 (0.54) HSD11B1GSK3BALDH1A1SMN1; SMN2
SCHEMBL1770012 0.75 HDAC4 (0.58) HSD11B1GSK3BALDH1A1SMN1; SMN2
SCHEMBL5643072 0.75 OPRM1 (0.44) OPRM1SIGMAR1HSD11B1
SCHEMBL5644252 0.75 OPRM1 (0.42) OPRM1SIGMAR1HSD11B1TPMTAKR1C1
SCHEMBL16507538 0.74 AKR1C1 (0.58) SIGMAR1HSD11B1ALDH1A1SMN1; SMN2AKR1C1
SCHEMBL5641709 0.74 OPRM1 (0.52) OPRM1SIGMAR1HSD11B1ALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRM1 4713/4885SIGMAR1 3426/4885HSD11B1 474/4885

“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.

Send feedback