SCHEMBL5848097

SCHEMBL5848097

COC(=O)[C@H]1CCc2cc(N)ccc2O1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PPARG P37231 2/20 0.35
PPARA Q07869 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 3/20 0.35
OPRK1 P41145 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
STS P08842 1/20 0.34
CRBN Q96SW2 1/20 0.33

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
SCHEMBL29587213 1.00 CYP4F2 (0.52) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL5848098 1.00 CYP4F2 (0.52) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL5848094 1.00 CYP4F2 (0.52) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL5847867 0.86 POLB (0.42) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL655600 0.86 POLB (0.42) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL5847871 0.86 POLB (0.42) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL10506066 0.85 CYP4F2 (0.72) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL18165470 0.84 CYP4F2 (0.56) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL29052788 0.84 CYP4F2 (0.53) CYP4F2CYP4A11NFKB1NFKB2RELA
SCHEMBL4672067 0.84 CYP4F2 (0.45) CYP4F2CYP4A11NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 CYP4F2 367/4885CYP4A11 742/4885NFKB1 3824/4885

“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.