SCHEMBL2083186

SCHEMBL2083186

CCOC(=O)C1(C(=O)CNC(C)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNA3 P22001 1/20 0.42
OPRM1 P35372 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MMP8 P22894 1/20 0.41
OPRK1 P41145 4/20 0.40
OPRD1 P41143 3/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.40
GRM7 Q14831 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX5 P09917 1/20 0.40
GPR139 Q6DWJ6 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
SCHEMBL2083187 1.00 APAF1 (0.43) APAF1CYP3A4CYP2C19KCNA3OPRM1
SCHEMBL24629686 0.86 POLB (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL25831273 0.78 APAF1 (0.53) APAF1CYP3A4CYP2C19OPRM1SMN1; SMN2
SCHEMBL25297216 0.78 APAF1 (0.53) APAF1CYP3A4CYP2C19OPRM1SMN1; SMN2
SCHEMBL13483586 0.77 MME (0.50) CYP3A4CYP2C19SMN1; SMN2TSHRMEN1
SCHEMBL13659728 0.74 GAA (0.46) CYP3A4CYP2C19KCNA3OPRM1SMN1; SMN2
SCHEMBL3258696 0.74 SMN1; SMN2 (0.49) CYP3A4CYP2C19KCNA3OPRM1SMN1; SMN2
SCHEMBL3258693 0.74 SMN1; SMN2 (0.49) CYP3A4CYP2C19KCNA3OPRM1SMN1; SMN2
SCHEMBL16847413 0.73 HPGD (0.45) CYP3A4CYP2C19SMN1; SMN2GAAMEN1
SCHEMBL7956888 0.72 APAF1 (0.39) APAF1CYP3A4CYP2C19KCNA3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L APAF1 2770/4885CYP3A4 198/4885CYP2C19 45/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL APAF1 2269/4885CYP3A4 277/4885CYP2C19 39/4885

“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.