SCHEMBL17062172

SCHEMBL17062172

O=C(O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ncc(C(F)(F)F)cc1Cl)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
LIPE Q05469 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL21825495 1.00 CYP2C9 (0.44) CYP2C9CYP2C19MAPTGAASMN1; SMN2
SCHEMBL17062170 1.00 CYP2C9 (0.44) CYP2C9CYP2C19MAPTGAASMN1; SMN2
SCHEMBL16771100 0.86 GPR119 (0.51) CYP2C9CYP2C19MAPTGAASMN1; SMN2
SCHEMBL18422974 0.81 CYP2C9 (0.51) CYP2C9CYP2C19MAPTGAASMN1; SMN2
SCHEMBL17062357 0.77 EPHX2 (0.40) CYP2C9CYP2C19MAPTGAAMEN1
SCHEMBL17062359 0.77 EPHX2 (0.40) CYP2C9CYP2C19MAPTGAAMEN1
SCHEMBL21825374 0.77 EPHX2 (0.40) CYP2C9CYP2C19MAPTGAAMEN1
SCHEMBL16771108 0.76 SCN9A (0.49) CYP2C9CYP2C19MAPTGAASMN1; SMN2
SCHEMBL16771127 0.76 SLC6A4 (0.50) CYP2C19SMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL17061859 0.76 SLC6A4 (0.50) CYP2C19SMN1; SMN2KMT2AHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 CYP2C9 218/4885CYP2C19 189/4885MAPT 4603/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 CYP2C9 435/4885CYP2C19 373/4885MAPT 4191/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR CYP2C9 179/4885CYP2C19 152/4885MAPT 4087/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 CYP2C9 218/4885CYP2C19 189/4885MAPT 4603/4885

“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.