SCHEMBL4047072

SCHEMBL4047072

N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.54
ERAP2 Q6P179 2/20 0.54
KDM4E B2RXH2 2/20 0.51
TAAR1 Q96RJ0 1/20 0.47
CTSD P07339 1/20 0.45
BACE1 P56817 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
SLC2A1 P11166 1/20 0.45
GRIN2B Q13224 1/20 0.45
CSNK1E P49674 1/20 0.43
F2 P00734 1/20 0.43
EPHX2 P34913 1/20 0.43
ABCB1 P08183 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4695118 1.00 ANPEP (0.54) ANPEPERAP2KDM4ETAAR1CTSD
SCHEMBL4693744 1.00 ANPEP (0.54) ANPEPERAP2KDM4ETAAR1CTSD
SCHEMBL5720870 1.00 ANPEP (0.54) ANPEPERAP2KDM4ETAAR1CTSD
Hydrochloric Acid SCHEMBL5930110 0.99 ANPEP (0.53) ANPEPERAP2KDM4ETAAR1CTSD
SCHEMBL5930121 0.99 ANPEP (0.52) ANPEPERAP2KDM4ETAAR1CTSD
Hydrochloric Acid SCHEMBL5220187 0.97 ANPEP (0.52) ANPEPERAP2KDM4ETAAR1CTSD
SCHEMBL4692517 0.96 ANPEP (0.49) ANPEPERAP2KDM4ETAAR1CTSD
Hydrochloric Acid SCHEMBL5216767 0.94 ANPEP (0.48) ANPEPERAP2KDM4ETAAR1CTSD
SCHEMBL5805296 0.93 GRIN2B (0.48) ANPEPERAP2KDM4ECTSDBACE1
SCHEMBL14253003 0.93 GRIN2B (0.48) ANPEPERAP2KDM4ECTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
WO-2006103088-A1 NOVEL HYDROXYETHYLAMINE AND KETONE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2005113525-A1 N, N’-SUBSTITUTED-1,3-DIAMINO-2-OXOPROPANE DERIVATIVES, THEIR PHARMACEUTICAL COMPOSITIONS AND USE GLAXO GROUP LIMITED (GB) 2005-12-01 WO disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 WO disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 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 (3 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-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP ANPEP 728/4885ERAP2 571/4885KDM4E 2432/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT ANPEP 283/4885ERAP2 740/4885KDM4E 1983/4885
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE ANPEP 1378/4885ERAP2 2591/4885KDM4E 1788/4885

“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.