SCHEMBL1587616

SCHEMBL1587616

CCCCN(CC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(OCCCC(=O)O)cn1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.46
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
PPARG P37231 5/20 0.36
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALOX5 P09917 1/20 0.34
SERPINE1 P05121 1/20 0.33

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
SCHEMBL1587426 0.99 CETP (0.47) CETPPPARDPPARAPPARGRXRA
SCHEMBL1587613 0.91 CETP (0.40) CETPPPARDPPARAPPARGPSEN1
SCHEMBL1587614 0.91 CETP (0.44) CETPPPARDPPARAPPARGRXRA
SCHEMBL1587631 0.90 CETP (0.39) CETPPPARDPPARAPPARG
SCHEMBL1587506 0.90 CETP (0.45) CETPPPARDPPARAPPARGRXRA
SCHEMBL1587496 0.88 CETP (0.47) CETPPPARDPPARAPPARGRXRA
SCHEMBL1588772 0.87 CETP (0.50) CETPPPARDPPARAPPARGRXRA
SCHEMBL1587713 0.87 CETP (0.48) CETPPPARDPPARAPPARGRXRA
SCHEMBL1588099 0.87 CETP (0.45) CETPPPARDPPARAPPARGSERPINE1
SCHEMBL5067512 0.86 CETP (0.52) CETPPPARDPPARAPPARGPSEN1

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 4 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

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 1/4885PPARD 1687/4885PPARA 983/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885PPARD 1687/4885PPARA 983/4885

“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.