SCHEMBL3767491

SCHEMBL3767491

COc1ccc(C(=O)c2cc(N)ccc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 5/20 0.54
KMT2A Q03164 3/20 0.52
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 2/20 0.51
CHRM4 P08173 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HPGD P15428 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47

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
SCHEMBL30341891 0.86 RAB9A (0.56) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL28139091 0.84 MAPT (0.73) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL9726394 0.84 MAPT (0.58) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL11574495 0.82 NPC1 (0.62) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL2870865 0.81 MAPT (0.65) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL16946312 0.81 NPC1 (0.54) NPC1RAB9AKMT2AMAPTHTT
Anisole SCHEMBL27502152 0.81 ALDH1A1 (0.55) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL28426167 0.81 SMN1; SMN2 (0.54) NPC1RAB9AKMT2AMAPTHTT
SCHEMBL30772329 0.80 PTGS2 (0.55) NPC1KMT2AMAPTNPSR1GAA
SCHEMBL30574108 0.80 MAPT (0.73) NPC1RAB9AKMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283326-B2 Crystalline form of 4-(beta-D-glucopyranos-1-yl)-1-methyl-2-[4-((S)-tetrahydrofuran-3-yloxy)-benzyl]-benzene, a method for its preparation and the use thereof for preparing medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-09 US disclosed
US-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
EP-2086991-A1 CRYSTALLINE FORM OF 4-(ß-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2009-08-12 EP disclosed
WO-2008049923-A1 CRYSTALLINE FORM OF 4-(ß-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-02 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-20100317847-A1 CRYSTALLINE FORM OF 4-(BETA-D-GLUCOPYRANOS-1-YL)-1-METHYL-2-[4-((S)-TETRAHYDROFURAN-3-YLOXY)-BENZYL]-BENZENE, A METHOD FOR ITS PREPARATION AND THE USE THEREOF FOR PREPARING MEDICAMENTS MGAT3, GANAB, MGAT2 NPC1 733/4885RAB9A 4717/4885KMT2A 3626/4885

“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.