SCHEMBL1600175

SCHEMBL1600175

Cc1cc(Br)c(CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.46
GPBAR1 Q8TDU6 2/20 0.41
RHOC P08134 2/20 0.36
RHOA P61586 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SCN8A Q9UQD0 1/20 0.34
MTOR P42345 1/20 0.33
MLYCD O95822 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
IDO1 P14902 2/20 0.32

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
SCHEMBL14414289 0.77 SLC6A4 (0.35) HTT
SCHEMBL1599514 0.77 TACR1 (0.54) TACR1GPBAR1RHOCRHOASCN8A
SCHEMBL5084706 0.74 TACR1 (0.59) TACR1GPBAR1RHOCRHOAMTOR
SCHEMBL3555402 0.74 TACR1 (0.51) TACR1GPBAR1RHOCRHOAMTOR
SCHEMBL1601226 0.74 TACR1 (0.36) TACR1ALDH1A1
SCHEMBL12707820 0.73 TACR1 (0.35) TACR1
SCHEMBL13461889 0.72 TACR1 (0.50) TACR1GPBAR1RHOCRHOASCN8A
SCHEMBL1600424 0.71 ADRB2 (0.34) HTT
SCHEMBL1601225 0.69 ADRB2 (0.34)
SCHEMBL3559178 0.69 PIN1 (0.45) TACR1GPBAR1IDO1

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
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US 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
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 TACR1 2334/4885GPBAR1 46/4885RHOC 2071/4885

“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.