SCHEMBL1600326

SCHEMBL1600326

CC(C)[Si](OCc1cc(C(F)(F)F)ccc1Br)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
SLC6A4 P31645 5/20 0.35
PIEZO1 Q92508 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDE2A O00408 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
KCNH2 Q12809 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DHFR P00374 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR6 P50406 1/20 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
SCHEMBL457099 0.80 DPP4 (0.32) IDO1SLC6A4HTR2AHTR2C
SCHEMBL1600324 0.79 IDO1 (0.41) IDO1SLC6A4PIEZO1CYP3A4CYP2D6
SCHEMBL3958892 0.79 POLB (0.38) IDO1CYP3A4CYP2D6HRH4
SCHEMBL3952559 0.79 AR (0.39) IDO1SLC6A4CYP2D6SLC6A2
SCHEMBL20191008 0.78 IDO1 (0.44) IDO1SLC6A4PIEZO1CYP3A4CYP2D6
SCHEMBL30448393 0.78 IDO1 (0.44) IDO1SLC6A4PIEZO1CYP3A4CYP2D6
SCHEMBL6818762 0.77 NOS3 (0.40) IDO1SLC6A4CYP3A4CYP2D6HTR2A
SCHEMBL14850055 0.77
SCHEMBL2280889 0.76 HPGD (0.41) IDO1SLC6A4HTR2AHDAC1
SCHEMBL3951900 0.75 PDE2A (0.34) IDO1SLC6A4PDE2AKCNH2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
WO-2009027785-A2 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2009-03-05 WO disclosed
EP-1996564-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 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-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP IDO1 910/4885SLC6A4 1459/4885PIEZO1 4801/4885

“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.