SCHEMBL6494880

SCHEMBL6494880

CCC1CC(C(=O)O)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.36
NR1H2 P55055 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP2C19 P33261 1/20 0.34
KLK5 Q9Y337 5/20 0.34
HSD17B10 Q99714 1/20 0.33
BUB1 O43683 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19566179 0.89 NR1H2 (0.35) KLK7NR1H2TPSAB1TPSD1TPSG1
SCHEMBL6480393 0.86 PTPN1 (0.35) KLK7NR1H2TPSAB1TPSD1TPSG1
SCHEMBL3394051 0.86 DDB1 (0.34) KLK7NR1H2TPSAB1TPSD1TPSG1
SCHEMBL12686993 0.86 PTPN1 (0.35) KLK7NR1H2TPSAB1TPSD1TPSG1
SCHEMBL7698258 0.84 HSD17B10 (0.33) KLK7NR1H2TPSAB1TPSD1TPSG1
SCHEMBL7698260 0.84 HSD17B10 (0.33) KLK7NR1H2TPSAB1TPSD1TPSG1
SCHEMBL7172090 0.84 FAAH (0.35) KLK7NR1H2TPSAB1TPSD1TPSG1
SCHEMBL9763142 0.83 DDB1 (0.33) KLK7NR1H2TPSAB1TPSD1TPSG1
SCHEMBL8669568 0.82 KLK7 (0.49) KLK7NR1H2KLK5PRSS1PRSS2
SCHEMBL31486428 0.82 KLK7 (0.49) KLK7NR1H2KLK5PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038030-A1 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-02-17 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-20050038030-A1 Amino-bicyclic pyrazinones and pyridinones as coagulation serine protease inhibitors TFPI, F5, F2 KLK7 203/4885NR1H2 4574/4885TPSAB1 126/4885

“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.