SCHEMBL4509867

SCHEMBL4509867

O=C(O)C1CCN(c2cnc(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)Cc3cc4ccccc4c(=O)[nH]3)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.48
MGLL Q99685 2/20 0.40
PARP1 P09874 5/20 0.39
PARP2 Q9UGN5 1/20 0.39
TNKS O95271 4/20 0.37
TNKS2 Q9H2K2 4/20 0.37
SGMS2 Q8NHU3 3/20 0.37
NOTUM Q6P988 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SGMS1 Q86VZ5 1/20 0.36

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
SCHEMBL4493367 0.90 CETP (0.43) CETPPARP1
SCHEMBL4493136 0.82 CETP (0.51) CETPSGMS2TRPV1SGMS1
SCHEMBL4499632 0.81 CETP (0.51) CETPSGMS2SGMS1
SCHEMBL4511810 0.81 CETP (0.55) CETPSGMS2SGMS1
SCHEMBL4506070 0.80 CETP (0.53) CETPSGMS2SGMS1
SCHEMBL4506131 0.79 CETP (0.49) CETPNOTUM
SCHEMBL1587751 0.79 CETP (0.53) CETPNOTUM
SCHEMBL1587774 0.75 CETP (0.57) CETPNOTUM
SCHEMBL4490319 0.74 CETP (0.45) CETPSGMS2SGMS1
SCHEMBL20768071 0.74 CETP (0.51) 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
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US 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 1/4885MGLL 30/4885PARP1 3573/4885

“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.