SCHEMBL4499649

SCHEMBL4499649

CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2nc(C)ccc2OS(=O)(=O)C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CETP P11597 10/20 0.42
PDK2 Q15119 1/20 0.33
DHFR P00374 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
CASR P41180 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
TACR1 P25103 2/20 0.31

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
SCHEMBL131743 0.88 CETP (0.44) CETPPDK2GPBAR1
SCHEMBL4508045 0.88 CETP (0.42) CETPPDK2DHFRGPBAR1CYSLTR2
SCHEMBL135313 0.83 CETP (0.39) CETPPDK2GPBAR1TACR1
SCHEMBL132303 0.83 CETP (0.40) CETPPDK2GPBAR1TACR1
SCHEMBL4491971 0.82 CETP (0.47) CETPPDK2
SCHEMBL5071423 0.78 CETP (0.44) CETP
SCHEMBL130695 0.78 CETP (0.41) CETPPDK2GPBAR1
SCHEMBL1588309 0.78 CETP (0.44) CETPPDK2
SCHEMBL134654 0.77 CETP (0.42) CETPPDK2
SCHEMBL1587677 0.77 CETP (0.42) 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 1 patent. 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

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 1/4885PDK2 4233/4885DHFR 1472/4885

“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.