SCHEMBL4495620

SCHEMBL4495620

Cc1ccc(OCc2ccccc2)c(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(Br)cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.40
GPBAR1 Q8TDU6 1/20 0.38
SLC6A4 P31645 3/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
GCK P35557 1/20 0.38
PTGER1 P34995 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1587844 0.84 SLC6A4 (0.43) CETPGPBAR1SLC6A4HTR2CHTR2B
SCHEMBL4506280 0.79 CETP (0.47) CETPMEN1KMT2A
SCHEMBL4494930 0.76 CETP (0.41) CETPPTGER1
SCHEMBL4490427 0.76 CETP (0.39) CETPGPBAR1
SCHEMBL132751 0.76 ALDH1A1 (0.40) CETPGPBAR1PTGER1MEN1KMT2A
SCHEMBL130203 0.75 CETP (0.45) CETPSLC6A4HTR2CHTR2BPTGER1
SCHEMBL1588216 0.73 HTR2C (0.39) CETPSLC6A4HTR2CHTR2BPTGER1
SCHEMBL1587559 0.72 CETP (0.46) CETPSLC6A4PTGER1
SCHEMBL1588411 0.72 CETP (0.53) CETP
SCHEMBL4504221 0.71 CETP (0.40) 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 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 1/4885GPBAR1 270/4885SLC6A4 1594/4885

“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.