SCHEMBL7187879

SCHEMBL7187879

CC(C)(C)N(C(=O)O)[C@H]1CCCCN(CC(=O)c2ccoc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
SRC P12931 1/20 0.31
ACE P12821 2/20 0.31
MME P08473 1/20 0.31
XIAP P98170 1/20 0.30

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
SCHEMBL7090877 0.81 SIGMAR1 (0.36) F10OPRM1OPRD1OPRK1CHRM2
SCHEMBL7248554 0.75 F10 (0.42) F10CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL7088442 0.75 F10 (0.47) F10SRCACEMMEXIAP
SCHEMBL7247690 0.74 L3MBTL1 (0.44) OPRD1ALDH1A1SRC
SCHEMBL7237135 0.74 F10 (0.42) F10ALDH1A1ACE
SCHEMBL1190098 0.71 NR1I2 (0.36) ALDH1A1
SCHEMBL5171227 0.68 CNR1 (0.35) CHRM2CHRM1CHRM3
SCHEMBL15855776 0.67 NR1I2 (0.39)
SCHEMBL21066907 0.65 EPHX1 (0.40) CHRM2CHRM1CHRM3
SCHEMBL21066905 0.65 EPHX1 (0.40) CHRM2CHRM1CHRM3

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-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO 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-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 F10 6/4885TRPA1 4861/4885CYP3A4 190/4885

“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.