SCHEMBL16770784

SCHEMBL16770784

COC[C@H](C)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
RXRA P19793 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2B Q13224 5/20 0.36
PTPN7 P35236 2/20 0.36
DUSP3 P51452 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KCNN4 O15554 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ERAP1 Q9NZ08 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL16770677 1.00 SLC6A4 (0.39) SLC6A4RXRAGRIN1GRIN2BPTPN7
SCHEMBL17069182 0.84 SLC6A4 (0.38) SLC6A4RXRAGRIN1GRIN2BSLC6A2
SCHEMBL17069183 0.84 SLC6A4 (0.38) SLC6A4RXRAGRIN1GRIN2BSLC6A2
SCHEMBL19055356 0.81 ALDH1A1 (0.42) SLC6A4RXRAGRIN1GRIN2BPTPN7
SCHEMBL16770676 0.81 AKR1C3 (0.36) SLC6A4RXRAGRIN1GRIN2BPTPN7
SCHEMBL16770742 0.81 AKR1C3 (0.36) SLC6A4RXRAGRIN1GRIN2BPTPN7
SCHEMBL12891913 0.81 PDPK1 (0.39) SLC6A4SLC6A2SLC6A3LMNATHRB
SCHEMBL21125077 0.79 UBE2M (0.38) SLC6A4RXRAGRIN1GRIN2BPTPN7
SCHEMBL1104680 0.77 SLC6A4 (0.42) SLC6A4RXRAGRIN1GRIN2BHDAC8
SCHEMBL19069421 0.77 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3LMNAKCNH2

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-9694002-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-07-04 US disclosed
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-03-30 US disclosed
US-9546164-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2017-01-17 US disclosed
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2015-09-10 US disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO 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 (2 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-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 SLC6A4 1432/4885RXRA 210/4885GRIN1 2595/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SLC6A4 661/4885RXRA 293/4885GRIN1 1750/4885

“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.