SCHEMBL16770967

SCHEMBL16770967

CC1(c2cc(Cl)cc(Cl)c2)COC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 5/20 0.41
CHRNA1 P02708 4/20 0.41
CHRNG P07510 4/20 0.41
CHRNB1 P11230 4/20 0.41
CHRNB2 P17787 4/20 0.41
CHRNB4 P30926 4/20 0.41
CHRNA3 P32297 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRND Q07001 4/20 0.41
TSHR P16473 2/20 0.36
SLC6A4 P31645 3/20 0.35
KCNH2 Q12809 1/20 0.35
CCR2 P41597 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
SCHEMBL16758861 0.73 WDR91 (0.41) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL16771020 0.72 CHRNA1 (0.35) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL17069186 0.72 SLC6A3 (0.35) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL23532467 0.70 SLC6A2 (0.46) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL23532468 0.70 SLC6A2 (0.46) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL24269730 0.68 EGLN2 (0.37) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL17177784 0.67 CHRNB2 (0.37) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL16884630 0.67 SLC6A2 (0.47) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL28198518 0.67 CCR2 (0.42) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL17299186 0.67 OPRM1 (0.36) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1

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 SLC6A2 1679/4885SLC6A3 2186/4885CHRNA1 1737/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR SLC6A2 927/4885SLC6A3 828/4885CHRNA1 1489/4885

“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.