SCHEMBL4468906

SCHEMBL4468906

O=C1C(CNc2ccncc2)CCCN1c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.41
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
GRIN2B Q13224 1/20 0.36
FPR1 P21462 3/20 0.35
FPR2 P25090 3/20 0.35
KDM4C Q9H3R0 3/20 0.34

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
SCHEMBL4478337 0.89 F10 (0.43) F10CYP2D6CYP2C9GRIN2BFPR1
SCHEMBL4489285 0.84 F10 (0.41) F10GRIN2B
SCHEMBL4476098 0.80 F10 (0.43) F10
SCHEMBL4478092 0.77 F10 (0.47) F10FPR1FPR2
SCHEMBL4478089 0.74 F10 (0.51) F10FPR1FPR2
SCHEMBL4475723 0.71 F10 (0.45) F10
SCHEMBL8327057 0.71 F10 (0.45) F10
SCHEMBL4486077 0.71 F10 (0.45) F10
SCHEMBL5794813 0.71 F10 (0.52) F10FPR1FPR2
SCHEMBL4490372 0.70 F10 (0.45) F10FPR1FPR2

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 2 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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors SMALLHEER JOANNE M 2006-11-02 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-20060247243-A1 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors TFPI, SPINT2, F5 F10 38/4885CYP2D6 3245/4885CYP2C9 591/4885

“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.