SCHEMBL4511758

SCHEMBL4511758

COc1ncc(-c2nc3c(C)cccc3cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCS(C)(=O)=O)cn2)c(OC)n1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.34
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
PIK3CD O00329 7/20 0.33
TACR1 P25103 3/20 0.32

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
SCHEMBL4501835 0.84 CETP (0.50) CETP
SCHEMBL170412 0.84 CYP1A2 (0.41) CETPCYP1A2METAP2
SCHEMBL4501452 0.83 NR3C1 (0.35) CETPPIK3CDTACR1
SCHEMBL4499332 0.82 NR3C1 (0.34) CETPPIK3CDTACR1
SCHEMBL4510002 0.81 NR3C1 (0.37) CETPPIK3CDTACR1
SCHEMBL12051888 0.77 CETP (0.36) CETP
SCHEMBL4499835 0.76 CETP (0.51) CETPPIK3CD
SCHEMBL4505763 0.74 CETP (0.51) CETP
SCHEMBL4509476 0.71 CETP (0.49) CETP
SCHEMBL4501390 0.71 CETP (0.58) CETP

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-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885CYP1A2 650/4885METAP2 132/4885

“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.