SCHEMBL1587966

SCHEMBL1587966

CCN(CCC(=O)O)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 12/20 0.47
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NTRK1 P04629 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
LRRK2 Q5S007 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EGFR P00533 1/20 0.36
CDK2 P24941 1/20 0.36
STAT6 P42226 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
SCHEMBL1587837 0.94 CETP (0.45) CETPALDH1A1SMN1; SMN2NTRK1LMNA
SCHEMBL1588669 0.93 CETP (0.45) CETPALDH1A1SMN1; SMN2NTRK1LMNA
SCHEMBL1588389 0.91 CETP (0.51) CETPALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL1588443 0.89 CETP (0.46) CETPALDH1A1SMN1; SMN2NTRK1LMNA
SCHEMBL1588665 0.88 CETP (0.44) CETPALDH1A1SMN1; SMN2NTRK1LMNA
SCHEMBL1587594 0.88 CETP (0.49) CETPALDH1A1SMN1; SMN2NTRK1LMNA
SCHEMBL1587469 0.87 CETP (0.45) CETPALDH1A1SMN1; SMN2NTRK1EGFR
SCHEMBL1587732 0.87 CETP (0.45) CETPSMN1; SMN2KDM4EPOLBNPSR1
SCHEMBL680940 0.87 CETP (0.46) CETPNTRK1
SCHEMBL680939 0.87 CETP (0.46) CETPNTRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP 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 (2 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB CETP 1/4885ALDH1A1 3054/4885SMN1; SMN2 4864/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885ALDH1A1 3054/4885SMN1; SMN2 4864/4885

“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.