SCHEMBL6500327

SCHEMBL6500327

CC1CN(c2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
MAPT P10636 2/20 0.44
TRPV1 Q8NER1 3/20 0.42
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
HDAC1 Q13547 1/20 0.39
NR3C1 P04150 1/20 0.38
SLC2A1 P11166 1/20 0.38
LCK P06239 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6496929 0.86 MAPT (0.57) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL6497061 0.80 MAPKAPK2 (0.50) MAPTTRPV1MAPKAPK2KCNH2MCHR1
SCHEMBL6680389 0.77 MAPKAPK2 (0.46) MAPTMEN1KMT2ASMN1; SMN2MAPKAPK2
SCHEMBL6488746 0.76 MAPT (0.60) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL6531877 0.76 SMN1; SMN2 (0.54) MAPTMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL6496056 0.76 MAPKAPK2 (0.66) MAPTSMN1; SMN2MAPKAPK2KCNH2
SCHEMBL6490778 0.75 MAPKAPK2 (0.46) MAPTMAPKAPK2SLC2A1LCKHCK
SCHEMBL6488027 0.75 ESR2 (0.50) NR1H2MAPTNAMPT
SCHEMBL6490755 0.75 CA1 (0.51) MAPTMAPKAPK2SLC2A1KCNH2
SCHEMBL6490282 0.74 AR (0.45) NR1H2MAPKAPK2CHRM2CHRM1SLC2A1

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 NR1H2 57/4885NR1H3 123/4885MAPT 4202/4885

“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.