SCHEMBL6503784

SCHEMBL6503784

CCOC(=O)C1=C(c2ccc(C(F)(F)F)cc2)CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.56
SLC6A3 Q01959 10/20 0.50
SLC6A4 P31645 1/20 0.49
TRPM2 O94759 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
PTGS2 P35354 1/20 0.44
TLR2 O60603 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL6503781 1.00 SLC6A2 (0.56) SLC6A2SLC6A3SLC6A4TRPM2MAPT
SCHEMBL6499457 0.85 SLC6A2 (0.77) SLC6A2SLC6A3SLC6A4PTGS2
SCHEMBL6490857 0.85 SLC6A3 (0.55) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL6490853 0.85 SLC6A3 (0.55) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL6489548 0.83 SLC6A3 (0.54) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL21332404 0.82 SLC6A3 (0.72) SLC6A2SLC6A3SLC6A4CHRM5CHRM1
SCHEMBL1752640 0.82 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL1752641 0.82 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4CHRM2CHRM4
SCHEMBL1743636 0.81 SLC6A3 (0.71) SLC6A2SLC6A3SLC6A4CHRM5CHRM1
SCHEMBL7546067 0.81 SLC6A3 (0.51) SLC6A2SLC6A3SLC6A4MAPTKDM4E

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 US disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SLC6A2 1801/4885SLC6A3 3942/4885SLC6A4 3899/4885

“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.