SCHEMBL4490427

SCHEMBL4490427

FC(F)(F)c1cc(CN(Cc2cc3ccccc3c(OCc3ccccc3)n2)c2ncc(Br)cn2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.39
TACR1 P25103 3/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SCN3A Q9NY46 1/20 0.33
PDE5A O76074 1/20 0.33
SGMS1 Q86VZ5 1/20 0.33
SGMS2 Q8NHU3 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
SCHEMBL4493136 0.81 CETP (0.51) CETPSGMS1SGMS2
SCHEMBL4494930 0.78 CETP (0.41) CETPTACR1CYP1A2CYP2D6
SCHEMBL1587844 0.78 SLC6A4 (0.43) CETPGPBAR1
SCHEMBL4490319 0.78 CETP (0.45) CETPSGMS1SGMS2
SCHEMBL4495620 0.76 CETP (0.40) CETPGPBAR1
SCHEMBL132751 0.76 ALDH1A1 (0.40) CETPTACR1GPBAR1
SCHEMBL4504221 0.75 CETP (0.40) CETP
SCHEMBL4506070 0.71 CETP (0.53) CETPTACR1SGMS1SGMS2
SCHEMBL4503976 0.70 CETP (0.42) CETPTACR1GPBAR1LMNACYP1A2
SCHEMBL4497887 0.70 CETP (0.38) CETPTACR1GPBAR1CYP1A2CYP2D6

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 1/4885TACR1 3300/4885GPBAR1 270/4885

“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.