SCHEMBL4493515

SCHEMBL4493515

CCCN(CC1CC1)c1nc(S(C)(=O)=O)ncc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.35
CNR2 P34972 3/20 0.35
AR P10275 1/20 0.34
CRHR1 P34998 7/20 0.34
CNR1 P21554 1/20 0.31
S1PR1 P21453 1/20 0.31
PLK1 P53350 1/20 0.30

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
SCHEMBL4496659 0.88 CRHR1 (0.40) CETPARCRHR1
SCHEMBL4495615 0.85 AR (0.35) CETPARCRHR1
SCHEMBL4488834 0.85 AR (0.35) CETPCNR2ARCRHR1PLK1
SCHEMBL4500073 0.81 AR (0.36) CETPCNR2ARCRHR1
SCHEMBL1587598 0.80 CETP (0.39) CETPCNR2ARCRHR1
SCHEMBL4514061 0.80 CETP (0.39) CETPARCRHR1PLK1
SCHEMBL4502464 0.79 CRHR1 (0.36) CETPARCRHR1
SCHEMBL4493519 0.78 CETP (0.32) CETP
SCHEMBL130241 0.77 CETP (0.40) CETPARCRHR1
SCHEMBL4490321 0.75 CETP (0.43) CETPARCRHR1

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 1/4885CNR2 1150/4885AR 2569/4885

“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.