SCHEMBL5649142

SCHEMBL5649142

O=C(O)N1CCCC1c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
SCD5 Q86SK9 5/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP2C19 P33261 1/20 0.40
KCNK3 O14649 1/20 0.39
CPT1A P50416 2/20 0.38
SCD O00767 2/20 0.37
HSD11B1 P28845 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
PRCP P42785 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
SCHEMBL5649137 1.00 RIPK1 (0.42) RIPK1SCD5KDM4ECYP2C19KCNK3
SCHEMBL6646886 0.95 CPT1A (0.42) RIPK1SCD5KDM4ECYP2C19CPT1A
SCHEMBL22092373 0.89 KDM4E (0.42) RIPK1SCD5KDM4ECYP2C19HCRTR1
SCHEMBL6567735 0.89 KDM4E (0.42) RIPK1SCD5KDM4ECYP2C19HCRTR1
SCHEMBL1329027 0.81 HSD11B1 (0.55) RIPK1SCD5KCNK3CPT1AHSD11B1
SCHEMBL20742564 0.78 CPT1A (0.36) RIPK1SCD5CPT1AHCRTR1HCRTR2
SCHEMBL20742779 0.78 CPT1A (0.36) RIPK1SCD5CPT1AHCRTR1HCRTR2
SCHEMBL20742561 0.78 CPT1A (0.36) RIPK1SCD5CPT1AHCRTR1HCRTR2
SCHEMBL20742597 0.77 PRCP (0.37) RIPK1SCD5CPT1APRCP
SCHEMBL20742595 0.77 PRCP (0.37) RIPK1SCD5CPT1APRCP

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-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
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

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 695/4885KDM4E 1972/4885

“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.