SCHEMBL6498359

SCHEMBL6498359

COc1cccc(CN2CCc3cc(NC(=O)C4=C(c5ccc(C(F)(F)F)cc5)CCCC4)ccc3C2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.49
NOD2 Q9HC29 2/20 0.49
NOD1 Q9Y239 2/20 0.49
TMEM97 Q5BJF2 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD4 P21917 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SRPK1 Q96SB4 1/20 0.46
ABCB1 P08183 3/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL6501845 0.90 NOD1 (0.47) TNFNOD2NOD1ACACBMAPT
SCHEMBL6491162 0.88 NOD1 (0.48) TNFNOD2NOD1ACACB
SCHEMBL6498841 0.86 CLPP (0.52) TNFNOD2NOD1ACACB
SCHEMBL6496541 0.85 MAPT (0.57) SRPK1NR1H4MAPT
SCHEMBL6497091 0.83 PRKAA2 (0.52) TNFNOD2NOD1ACACB
SCHEMBL6489620 0.82 ABCB1 (0.51) TNFNOD1ABCB1
SCHEMBL6489208 0.81 NOD1 (0.41) TNFNOD2NOD1ACACB
SCHEMBL6502283 0.80 NOD1 (0.40) TNFNOD2NOD1ABCB1ACACB
SCHEMBL6491779 0.79 ACACB (0.43) ACACB
SCHEMBL6499211 0.79 MEN1 (0.42) TNFNOD2NOD1DRD4DRD3

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 1 patent. 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

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 TNF 2120/4885NOD2 904/4885NOD1 1072/4885

“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.