SCHEMBL4678729

SCHEMBL4678729

NCCOc1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
AGXT P21549 1/20 0.46
HTR1B P28222 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
FLT3 P36888 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
CA2 P00918 1/20 0.40
MAOB P27338 1/20 0.39
DDAH1 O94760 1/20 0.39
ADRA2C P18825 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 2/20 0.38
MGLL Q99685 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL10878681 0.82 AGXT (0.42) LOXL2AGXTKDM4EFLT3SMN1; SMN2
SCHEMBL3541730 0.82 ALDH1A1 (0.49) LOXL2AGXTKDM4ESMN1; SMN2POLB
SCHEMBL28720245 0.81 ALDH1A1 (0.43) LOXL2AGXTKDM4ESMN1; SMN2POLB
SCHEMBL16534423 0.79 FAAH (0.44) LOXL2AGXTKDM4EMAOBMEN1
SCHEMBL28712168 0.79 ALDH1A1 (0.42) LOXL2AGXTKDM4ESMN1; SMN2HPGD
SCHEMBL4624720 0.78 LOXL2 (0.52) LOXL2AGXTKDM4EFLT3SMN1; SMN2
SCHEMBL18762013 0.78 POLB (0.47) LOXL2AGXTKDM4EFLT3POLB
SCHEMBL5719086 0.78 AGXT (0.44) LOXL2AGXTKDM4EFLT3SMN1; SMN2
SCHEMBL29424653 0.77 KDM4E (0.41) LOXL2AGXTKDM4ESMN1; SMN2POLB
SCHEMBL28167314 0.76 AGXT (0.43) LOXL2AGXTKDM4EFLT3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
EP-1594864-B1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GMBH (DE) 2008-10-22 EP disclosed
EP-1594864-B1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GMBH (DE) 2008-10-22 EP disclosed
US-7425574-B2 e.g. 4-{2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy}benzofuran-2-carboxylic acid methyl ester; serotonin 5 HT1A and 5HT1D receptors agonist and antagonist, serotonin reuptake inhibitor; neuroleptic and hypotensive agent; MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-16 US disclosed
US-7425574-B2 e.g. 4-{2-[4-(5-cyano-1H-indol-3-yl)butylamino]ethoxy}benzofuran-2-carboxylic acid methyl ester; serotonin 5 HT1A and 5HT1D receptors agonist and antagonist, serotonin reuptake inhibitor; neuroleptic and hypotensive agent; MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-16 US disclosed
US-20060084693-A1 Benzofuran oxyethylamines as antidepressants and anxiolytics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-20 US disclosed
US-20060084693-A1 Benzofuran oxyethylamines as antidepressants and anxiolytics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-20 US disclosed
WO-2004074281-A8 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GMBH (DE) 2005-11-17 WO disclosed
EP-1594864-A1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GmbH (DE) 2005-11-16 EP disclosed
EP-1594864-A1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GmbH (DE) 2005-11-16 EP disclosed
WO-2004074281-A1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GMBH (DE) 2004-09-02 WO disclosed
WO-2004074281-A1 BENZOFURAN OXYETHYLAMINES SERVING AS ANTIDEPRESSANT DRUGS AND ANXIOLYTIC DRUGS MERCK PATENT GMBH (DE) 2004-09-02 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-20060084693-A1 Benzofuran oxyethylamines as antidepressants and anxiolytics HTR1D, HTR1A, HTR1F LOXL2 3284/4885AGXT 2793/4885HTR1B 7/4885

“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.