SCHEMBL4500073

SCHEMBL4500073

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.36
CRHR1 P34998 10/20 0.36
CETP P11597 6/20 0.36
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
CNR2 P34972 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 0.92 CRHR1 (0.38) ARCRHR1MEN1NR1I2GMNN
SCHEMBL4516007 0.86 CETP (0.43) ARCRHR1CETPCNR2
SCHEMBL4496659 0.84 CRHR1 (0.40) ARCRHR1CETPMEN1NR1I2
SCHEMBL4493484 0.84 CETP (0.43) ARCRHR1CETP
SCHEMBL1587598 0.83 CETP (0.39) ARCRHR1CETPCNR2
SCHEMBL4493479 0.83 CETP (0.37) ARCRHR1CETP
SCHEMBL4488834 0.82 AR (0.35) ARCRHR1CETPCNR2
SCHEMBL4495615 0.82 AR (0.35) ARCRHR1CETP
SCHEMBL4222350 0.81 CETP (0.36) CETPNPSR1
SCHEMBL4514061 0.81 CETP (0.39) ARCRHR1CETP

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 AR 2569/4885CRHR1 3834/4885CETP 1/4885

“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.