SCHEMBL135240

SCHEMBL135240

CC(OC(=O)C1CCNCC1)c1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)cc(Cl)c2OCc2ccccc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.40
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
CETP P11597 6/20 0.37
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5072379 0.86 TACR1 (0.43) TACR1MEN1ALDH1A1KMT2A
SCHEMBL1587634 0.84 SLC6A4 (0.40) TACR1SLC6A2SLC6A4CETP
SCHEMBL129898 0.79 CETP (0.43) CETPALDH1A1
SCHEMBL1587621 0.78 CETP (0.36) TACR1SLC6A2SLC6A4CETP
SCHEMBL132751 0.77 ALDH1A1 (0.40) TACR1CETPMEN1ALDH1A1KMT2A
SCHEMBL1587620 0.76 MGLL (0.38) TACR1SLC6A2SLC6A4CETP
SCHEMBL5067467 0.69 TACR1 (0.40) TACR1SLC6A2SLC6A4CETP
SCHEMBL130203 0.66 CETP (0.45) SLC6A4CETP
SCHEMBL130516 0.66 CETP (0.56) CETP
SCHEMBL132026 0.65 CETP (0.45) CETPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
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 TACR1 3049/4885SLC6A2 1191/4885SLC6A4 1347/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB TACR1 3049/4885SLC6A2 1191/4885SLC6A4 1347/4885

“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.