SCHEMBL5650253

SCHEMBL5650253

O=C(O)N1CCC[C@H]1c1nnc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.35
SCD5 Q86SK9 3/20 0.32
SCD O00767 2/20 0.32
PRCP P42785 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1293292 0.76 HTR2B (0.42) RIPK1SCD5PRCPHCRTR1HCRTR2
SCHEMBL934063 0.76 HTR2B (0.42) RIPK1SCD5PRCPHCRTR1HCRTR2
SCHEMBL3852873 0.74 RIPK1 (0.33) RIPK1SCD5SCDPRCPHCRTR1
SCHEMBL5314180 0.74 RIPK1 (0.33) RIPK1SCD5SCDPRCPHCRTR1
SCHEMBL28088731 0.74 HCRTR1 (0.35) RIPK1SCD5SCDPRCPHCRTR1
SCHEMBL14857164 0.74 RIPK1 (0.34) RIPK1SCDPRCPHCRTR1HCRTR2
SCHEMBL750549 0.74 HCRTR1 (0.35) RIPK1SCD5SCDPRCPHCRTR1
SCHEMBL13505827 0.74 RIPK1 (0.37) RIPK1SCDPRCPHCRTR1HCRTR2
SCHEMBL18815628 0.71 PRCP (0.42) RIPK1SCD5SCDPRCPHCRTR1
SCHEMBL18815625 0.71 PRCP (0.42) RIPK1SCD5SCDPRCPHCRTR1

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-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 US disclosed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 RIPK1 1193/4885SCD5 695/4885SCD 1521/4885

“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.