SCHEMBL4179544

SCHEMBL4179544

COc1cccc(-c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.41
GPR55 Q9Y2T6 1/20 0.41
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DGAT2 Q96PD7 5/20 0.39
TACR1 P25103 2/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL4186628 0.92 CETP (0.41) CETPTACR1
SCHEMBL4474791 0.88 CETP (0.41) CETPTACR1
SCHEMBL4181093 0.88 TACR1 (0.43) CETPTACR1
SCHEMBL4193245 0.88 TACR1 (0.49) CETPTACR1
SCHEMBL13697573 0.86 CETP (0.50) CETPTACR1HSP90AA1HSP90AB1
SCHEMBL4176315 0.86 CETP (0.58) CETP
SCHEMBL4179321 0.86 CETP (0.43) CETPTACR1
SCHEMBL4176519 0.85 CETP (0.46) CETPTACR1
SCHEMBL4171828 0.85 CETP (0.39) CETPTACR1
SCHEMBL13697572 0.85 CETP (0.40) CETPTACR1HSP90AA1HSP90AB1

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-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 US disclosed
US-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. 2009-09-24 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-20090239865-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES APOB, LDLR, CETP CETP 3/4885GPR55 2047/4885KDM4E 1432/4885

“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.