SCHEMBL1600324

SCHEMBL1600324

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.41
PIEZO1 Q92508 1/20 0.37
TACR1 P25103 1/20 0.36
DHFR P00374 1/20 0.33
BACE1 P56817 1/20 0.32
SLC6A4 P31645 2/20 0.32
HTR2A P28223 1/20 0.32
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
CYP1A2 P05177 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
GSTP1 P09211 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KIF11 P52732 1/20 0.30

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
SCHEMBL31207695 0.89 TACR1 (0.37) IDO1PIEZO1TACR1BACE1CYP3A4
SCHEMBL14941564 0.82 NR3C1 (0.35) IDO1BACE1SLC6A4HTR2A
SCHEMBL30817938 0.82 NR3C1 (0.35) IDO1BACE1SLC6A4HTR2A
SCHEMBL17786197 0.81 IDO1 (0.40) IDO1TACR1BACE1SLC6A4HTR2A
SCHEMBL1600326 0.79 IDO1 (0.38) IDO1PIEZO1DHFRSLC6A4HTR2A
SCHEMBL8936718 0.79 NOS3 (0.36) IDO1BACE1SLC6A4HTR2ACYP3A4
SCHEMBL29383016 0.79 NOS3 (0.36) IDO1BACE1SLC6A4HTR2ACYP3A4
SCHEMBL6119427 0.79 BACE1 (0.33) IDO1BACE1
SCHEMBL17894230 0.78 ADRB1 (0.43) IDO1TACR1SLC6A4HTR2AKCNH2
SCHEMBL20191008 0.78 IDO1 (0.44) IDO1PIEZO1SLC6A4HTR2AKCNH2

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 910/4885PIEZO1 4801/4885TACR1 2334/4885

“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.