SCHEMBL5643072

SCHEMBL5643072

O=C(CN1CCCC1)C1(c2ccc(I)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.44
▸ HSD11B1 P28845 6/20 0.42
▸ SIGMAR1 Q99720 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL8351187 0.84 USP2 (0.46) OPRM1HSD11B1SIGMAR1MEN1KMT2A
SCHEMBL8351183 0.83 HPGD (0.46) OPRM1HSD11B1SIGMAR1MEN1KMT2A
SCHEMBL8351554 0.80 USP2 (0.45) OPRM1HSD11B1SIGMAR1MEN1KMT2A
SCHEMBL8353497 0.80 USP2 (0.45) OPRM1HSD11B1SIGMAR1MEN1KMT2A
SCHEMBL14347920 0.79 MEN1 (0.58) HSD11B1SIGMAR1CYP1A2CYP2D6CYP2C9
SCHEMBL16523027 0.79 HSD11B1 (0.62) OPRM1HSD11B1SIGMAR1LMNA
SCHEMBL16507031 0.78 KMT2A (0.56) HSD11B1SIGMAR1CYP1A2CYP2D6CYP2C9
SCHEMBL19242638 0.78 KMT2A (0.60) HSD11B1SIGMAR1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL16507430 0.77 MAPK1 (0.58) OPRM1HSD11B1SIGMAR1CYP1A2CYP2D6
SCHEMBL3139523 0.76 HSD11B1 (0.71) HSD11B1CYP2C9MEN1KMT2ALMNA

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 4713/4885HSD11B1 474/4885SIGMAR1 3426/4885

“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.

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