SCHEMBL4038828

SCHEMBL4038828

Cc1cccc(C(C)NC[C@@H](O)[C@@H](N)Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
F2 P00734 2/20 0.43
ANPEP P15144 1/20 0.42
CSNK1E P49674 1/20 0.42
LAP3 P28838 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CASR P41180 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3352220 0.88 BCHE (0.70) BCHEF2ANPEPCSNK1ELAP3
SCHEMBL3350343 0.88 BCHE (0.70) BCHEF2ANPEPCSNK1ELAP3
SCHEMBL3347420 0.88 BCHE (0.70) BCHEF2ANPEPCSNK1ELAP3
SCHEMBL4041251 0.84 CASR (0.62) BCHETAAR1CASR
Hydrochloric Acid SCHEMBL5225349 0.83 CASR (0.60) BCHESLC6A2TAAR1SIGMAR1CASR
SCHEMBL4039177 0.82 F2 (0.56) BCHEF2SLC6A2SLC6A4SLC6A3
SCHEMBL4695052 0.78 ALDH1A1 (0.45) F2CSNK1ENPC1RAB9AMEN1
SCHEMBL4038318 0.78 DNM1 (0.51) BCHEF2CSNK1EBACE1
SCHEMBL5382881 0.78 CSNK1E (0.53) BCHEF2ANPEPCSNK1ELAP3
Hydrochloric Acid SCHEMBL5224300 0.77 CSNK1E (0.51) BCHEF2ANPEPCSNK1ELAP3

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-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
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE BCHE 3/4885F2 452/4885ANPEP 1378/4885

“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.