SCHEMBL7090877

SCHEMBL7090877

CC(C)(C)N(C(=O)O)[C@H]1CCCCN(CC(=O)c2ccsc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
F10 P00742 2/20 0.35
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM1 P11229 1/20 0.32
HSD11B1 P28845 1/20 0.32
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
DAO P14920 1/20 0.31
HTR1A P08908 3/20 0.31
ALDH1A1 P00352 3/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7187879 0.81 F10 (0.36) F10OPRM1OPRD1OPRK1CHRM2
SCHEMBL7248554 0.75 F10 (0.42) F10CHRM2CHRM3CHRM1ALDH1A1
SCHEMBL7091460 0.75 F10 (0.47) F10ACEMME
SCHEMBL7247690 0.74 L3MBTL1 (0.44) OPRD1ALDH1A1POLBMEN1KMT2A
SCHEMBL7237135 0.74 F10 (0.42) F10ALDH1A1MEN1KMT2AACE
SCHEMBL1190098 0.71 NR1I2 (0.36) ALDH1A1
SCHEMBL5171227 0.68 CNR1 (0.35) CHRM2CHRM3CHRM1KMT2A
SCHEMBL15855776 0.67 NR1I2 (0.39)
SCHEMBL7091456 0.65 DPP4 (0.37) CHRM2CHRM3HTR1AALDH1A1POLB
SCHEMBL21066905 0.65 EPHX1 (0.40) SIGMAR1CHRM2CHRM3CHRM1MEN1

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 SIGMAR1 3251/4885F10 6/4885OPRM1 1736/4885

“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.