SCHEMBL5437564

SCHEMBL5437564

CC(C)(C)OC(=O)NC1CCCC1NC(=O)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
CCR1 P32246 1/20 0.46
PTK2 Q05397 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HCRTR1 O43613 2/20 0.43
TRPA1 O75762 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
F5 P12259 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
IDO1 P14902 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4268193 0.98 SMN1; SMN2 (0.45) L3MBTL1CCR1PTK2SMN1; SMN2HCRTR1
SCHEMBL4268198 0.98 SMN1; SMN2 (0.45) L3MBTL1CCR1PTK2SMN1; SMN2HCRTR1
SCHEMBL13631335 0.89 F10 (0.42) L3MBTL1CCR1PTK2SMN1; SMN2TRPA1
SCHEMBL4268249 0.88 SSTR4 (0.41) L3MBTL1PTK2HCRTR1F10F2
SCHEMBL209274 0.88 SSTR4 (0.41) L3MBTL1PTK2HCRTR1F10F2
SCHEMBL3306007 0.87 F10 (0.46) L3MBTL1CCR1PTK2SMN1; SMN2TRPA1
SCHEMBL4954629 0.87 F10 (0.46) L3MBTL1CCR1PTK2SMN1; SMN2TRPA1
SCHEMBL208895 0.87 F10 (0.43) L3MBTL1CCR1PTK2SMN1; SMN2F10
SCHEMBL3306344 0.85 F10 (0.45) L3MBTL1CCR1PTK2SMN1; SMN2TRPA1
SCHEMBL4267277 0.85 F10 (0.45) L3MBTL1CCR1PTK2SMN1; SMN2TRPA1

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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD L3MBTL1 2178/4885CCR1 1945/4885PTK2 3453/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 L3MBTL1 3514/4885CCR1 2229/4885PTK2 3461/4885

“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.