SCHEMBL17062136

SCHEMBL17062136

C[C@H]1[C@H](O)CCCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
GBA1 P04062 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ACHE P22303 1/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL17062432 1.00 MAPT (0.53) MAPTGBA1ALDH1A1ACHEKDM4E
SCHEMBL3609150 0.90 GBA1 (0.60) MAPTGBA1ALDH1A1ACHE
SCHEMBL18479257 0.90 GBA1 (0.60) MAPTGBA1ALDH1A1ACHE
SCHEMBL25741967 0.83 ACHE (0.50) MAPTALDH1A1ACHEHRH3
SCHEMBL15719020 0.81 GBA1 (0.57) MAPTGBA1ALDH1A1ACHE
SCHEMBL21197753 0.81 ACHE (0.47) ALDH1A1ACHEHRH3
SCHEMBL11156786 0.80 GBA1 (0.50) MAPTGBA1ALDH1A1
SCHEMBL2433049 0.80 ALDH1A1 (0.56) MAPTGBA1ALDH1A1
SCHEMBL1357166 0.80 ALDH1A1 (0.63) ALDH1A1ACHEKDM4EPOLBHRH3
SCHEMBL2280757 0.80 MAPT (0.63) MAPTGBA1

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 MAPT 4603/4885GBA1 58/4885ALDH1A1 912/4885
US-20150252038-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 MAPT 4191/4885GBA1 94/4885ALDH1A1 1306/4885
US-20170087136-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF C1R, SRR, PNISR MAPT 4087/4885GBA1 239/4885ALDH1A1 1503/4885
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 MAPT 4603/4885GBA1 58/4885ALDH1A1 912/4885

“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.