SCHEMBL438002

SCHEMBL438002

CCOC1CN(OC(=O)C(F)(F)F)CCC1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
CTSK P43235 2/20 0.38
CTSC P53634 2/20 0.38
CTSH P09668 1/20 0.38
CTSF Q9UBX1 1/20 0.38
HCRTR2 O43614 1/20 0.36
ACACB O00763 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM3 P20309 2/20 0.35
NPY2R P49146 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL28624652 0.79 CHRM3 (0.45) ACACBCHRM2CHRM3USP30
Trifluoroacetic Acid SCHEMBL438001 0.73 SSTR4 (0.42) SSTR4
SCHEMBL4327969 0.72 TEAD1 (0.58) ALDH1A1NPC1RAB9A
SCHEMBL14862265 0.71 CTSV (0.34) CTSVCTSLCTSBCTSSCTSK
SCHEMBL30900019 0.70 TACR1 (0.44) NPC1RAB9AUSP30
SCHEMBL6134246 0.70 POLB (0.32) HCRTR2
SCHEMBL407886 0.69 ALDH1A1 (0.44) HCRTR2ALDH1A1NPY2R
SCHEMBL27721841 0.69 CHRM3 (0.49) ACACBALDH1A1CHRM2CHRM3USP30
SCHEMBL27911300 0.69 CHRM3 (0.49) ACACBALDH1A1CHRM2CHRM3USP30
SCHEMBL27874081 0.69 CHRM3 (0.49) ACACBALDH1A1CHRM2CHRM3USP30

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT CTSV 2653/4885CTSL 4219/4885CTSB 2255/4885

“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.