SCHEMBL16770692

SCHEMBL16770692

CCc1cc(C(F)(F)F)cc(C2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.46
SLC6A4 P31645 8/20 0.46
KCNH2 Q12809 8/20 0.46
TLR8 Q9NR97 1/20 0.35
CTSK P43235 4/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
CTSS P25774 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL17061916 0.83 TACR1 (0.46) TACR1SLC6A4KCNH2TLR8GABRA2
SCHEMBL17069228 0.83 TACR1 (0.44) TACR1SLC6A4KCNH2TLR8GABRA2
SCHEMBL4021955 0.82 TACR1 (0.45) TACR1SLC6A4KCNH2TLR8CTSK
SCHEMBL4023227 0.82 KCNH2 (0.45) TACR1SLC6A4KCNH2CTSKGABRA2
SCHEMBL21212750 0.77 TSHR (0.39) TACR1SLC6A4KCNH2TLR8GABRA2
SCHEMBL19083939 0.77 TACR1 (0.45) TACR1SLC6A4KCNH2HPGDKMT2A
SCHEMBL21075333 0.76 KCNH2 (0.44) TACR1SLC6A4KCNH2TLR8CTSK
SCHEMBL19075523 0.75 KCNH2 (0.44) TACR1SLC6A4KCNH2
SCHEMBL21075802 0.74 TACR1 (0.49) TACR1SLC6A4KCNH2MEN1KMT2A
SCHEMBL21075678 0.74 TACR1 (0.43) TACR1SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 TACR1 1851/4885SLC6A4 1432/4885KCNH2 426/4885

“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.