SCHEMBL1600320

SCHEMBL1600320

C[SiH](C)C(C)(C)COCc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.36
TACR1 P25103 1/20 0.35
PIEZO1 Q92508 1/20 0.33
SRD5A2 P31213 1/20 0.31
SLC6A4 P31645 2/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL14941563 0.83 NR3C1 (0.34)
SCHEMBL475352 0.83 IDO1 (0.38) IDO1TACR1PIEZO1SRD5A2SLC6A4
SCHEMBL20486517 0.80 NOS3 (0.35)
SCHEMBL5777588 0.79 IDO1 (0.36) IDO1SLC6A4HTR2A
SCHEMBL19029817 0.77 CYP1A2 (0.34)
SCHEMBL500140 0.77 IDO1 (0.40) IDO1TACR1PIEZO1SLC6A4HTR2A
SCHEMBL3408682 0.76 IDO1 (0.46) IDO1
SCHEMBL20191008 0.76 IDO1 (0.44) IDO1PIEZO1SLC6A4HTR2AKCNH2
SCHEMBL30448393 0.76 IDO1 (0.44) IDO1PIEZO1SLC6A4HTR2AKCNH2
SCHEMBL26918172 0.72 IDO1 (0.39) IDO1TACR1PIEZO1SRD5A2SLC6A4

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
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

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 910/4885TACR1 2334/4885PIEZO1 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.