SCHEMBL3551350

SCHEMBL3551350

NC(=O)C1(C(=O)N2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.37
F2 P00734 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
SCHEMBL5031157 0.98 HSD11B1 (0.42) HSD11B1L3MBTL1SMN1; SMN2LMNAMEN1
SCHEMBL5027626 0.95 HSD11B1 (0.36) HSD11B1L3MBTL1SMN1; SMN2LMNAMEN1
SCHEMBL28543459 0.91 MEN1 (0.43) HSD11B1L3MBTL1SMN1; SMN2LMNAMEN1
SCHEMBL7176021 0.91 MEN1 (0.43) HSD11B1L3MBTL1SMN1; SMN2LMNAMEN1
SCHEMBL5031121 0.81 GAA (0.47) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL30635290 0.81 HSD11B1 (0.46) HSD11B1LMNAMEN1KMT2A
SCHEMBL4562587 0.77 RBP4 (0.31) HSD11B1
SCHEMBL28546286 0.73 ALDH1A1 (0.43) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL951610 0.72 PSEN1 (0.40) HSD11B1L3MBTL1SMN1; SMN2LMNAMEN1
SCHEMBL5031120 0.71 HSD11B1 (0.43) HSD11B1L3MBTL1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP claimed
US-7135469-B2 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-11-14 US claimed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP claimed
US-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-28 US claimed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO claimed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
EP-1603909-A4 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-09-03 EP disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008040951-A1 COMPOUNDS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-7135469-B2 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL MYERS SQUIBB, CO. (US) 2006-11-14 US disclosed
EP-1603909-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS Brystol-Myers Squibb Company (US) 2005-12-14 EP disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed
US-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-28 US disclosed
WO-2004083177-A2 LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS BRYSTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 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 (2 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-20040214808-A1 Linear chain substituted monocyclic and bicyclic derivatives as factor Xa inhibitors TFPI, F12, F2 HSD11B1 1537/4885L3MBTL1 1983/4885SMN1; SMN2 3327/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 HSD11B1 83/4885L3MBTL1 4825/4885SMN1; SMN2 1059/4885

“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.