SCHEMBL4490431

SCHEMBL4490431

FC(F)(F)c1cc(CN(c2ncc(Br)cn2)C(OCc2ccccc2)c2cc3ccccc3cn2)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.40
TACR1 P25103 14/20 0.35
CACNA1F O60840 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 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
SCHEMBL4493147 0.81 CETP (0.44) CETP
SCHEMBL4490322 0.77 CETP (0.41) CETP
SCHEMBL129360 0.70 CETP (0.47) CETPTACR1
SCHEMBL4511819 0.70 CETP (0.47) CETPTACR1
SCHEMBL4490427 0.69 CETP (0.39) CETPTACR1
SCHEMBL1587844 0.69 SLC6A4 (0.43) CETP
SCHEMBL4503973 0.69 CETP (0.40) CETPTACR1
SCHEMBL4495620 0.67 CETP (0.40) CETP
SCHEMBL132751 0.67 ALDH1A1 (0.40) CETPTACR1
SCHEMBL4494930 0.66 CETP (0.41) CETPTACR1

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 3 patents. 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
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885TACR1 3300/4885CACNA1F 4415/4885

“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.