SCHEMBL7667396

SCHEMBL7667396

[O]Cc1ccc(F)cc1CC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.37
▸ AGXT P21549 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ RIPK1 Q13546 3/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ TRPC5 Q9UL62 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15289017 0.84 RIPK1 (0.37) IDO1AGXTPTGS2RIPK1TRPC5
SCHEMBL7667398 0.80 IDO1 (0.37) IDO1AGXTPTGS2RIPK1
SCHEMBL27748635 0.79 PSEN1 (0.38) IDO1AGXTPTGS2PSEN1PSEN2
SCHEMBL28781489 0.78 IDO1 (0.36) IDO1AGXTPTGS2
SCHEMBL16425423 0.78 IDO1 (0.36) IDO1AGXTPTGS2RIPK1
SCHEMBL1381639 0.77 IDO1 (0.50) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL518007 0.76 IDO1 (0.54) IDO1AGXTRIPK1KDM4ESMN1; SMN2
SCHEMBL27748959 0.76 IDO1 (0.34) IDO1AGXTPTGS2
SCHEMBL28625612 0.73 ALDH1A1 (0.46) IDO1AGXTPTGS2KDM4E
SCHEMBL31490495 0.73 IDO1 (0.38) IDO1AGXTPTGS2KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 — — US claimed

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-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP IDO1 2778/4885AGXT 441/4885PTGS2 3158/4885

“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.

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