SCHEMBL4516007

SCHEMBL4516007

CCCN(CC1CC1)c1ncc(Cl)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 14/20 0.43
S1PR1 P21453 1/20 0.35
CRHR1 P34998 2/20 0.34
AR P10275 1/20 0.33
CNR2 P34972 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 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
SCHEMBL13965567 0.86 CRHR1 (0.38) CRHR1AR
SCHEMBL4500073 0.86 AR (0.36) CETPCRHR1ARCNR2
SCHEMBL18636589 0.79 CETP (0.44) CETP
SCHEMBL14602961 0.79 CETP (0.42) CETP
SCHEMBL14698243 0.79 CETP (0.43) CETPRAF1BRAF
SCHEMBL4493484 0.79 CETP (0.43) CETPS1PR1CRHR1AR
SCHEMBL14699534 0.79 CETP (0.46) CETP
SCHEMBL4493479 0.78 CETP (0.37) CETPCRHR1AR
SCHEMBL14707204 0.78 CETP (0.42) CETP
SCHEMBL14602963 0.78 CETP (0.43) 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 1/4885S1PR1 1451/4885CRHR1 3834/4885

“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.