SCHEMBL4489323

SCHEMBL4489323

O=C(NC1CCCN(c2ccc(C3(CN4CCCC4)CC3)cc2)C1=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.55
FPR1 P21462 5/20 0.53
CASP3 P42574 1/20 0.45

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
SCHEMBL4487001 0.90 FPR2 (0.53) FPR2FPR1CASP3
SCHEMBL13887434 0.85 CASP3 (0.45) FPR2FPR1CASP3
SCHEMBL4480037 0.85 CASP3 (0.45) FPR2FPR1CASP3
SCHEMBL8327055 0.82 CASP3 (0.49) FPR2FPR1CASP3
SCHEMBL8326106 0.79 CASP3 (0.47) FPR2FPR1CASP3
SCHEMBL20582050 0.77 FPR2 (0.66) FPR2FPR1
SCHEMBL4338889 0.76 CCR1 (0.48) FPR2FPR1CASP3
SCHEMBL28391420 0.76 FPR2 (0.62) FPR2FPR1
SCHEMBL4472817 0.75 F10 (0.43) FPR2FPR1CASP3
SCHEMBL14601912 0.75 F10 (0.43) FPR2FPR1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524863-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-28 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 US disclosed
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-01-08 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 (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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, F5 FPR2 3867/4885FPR1 2550/4885CASP3 1131/4885
US-20040006062-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, PRSS1 FPR2 3872/4885FPR1 1791/4885CASP3 1375/4885

“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.