SCHEMBL4048536

SCHEMBL4048536

N[C@@H](Cc1ccccc1)[C@H](O)CN(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.47
OPRM1 P35372 4/20 0.47
OPRD1 P41143 4/20 0.47
CSNK1E P49674 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SPPL2A Q8TCT8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
AOC3 Q16853 1/20 0.40
SLC15A1 P46059 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.38
BCHE P06276 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
SCHEMBL4042700 1.00 OPRK1 (0.47) OPRK1OPRM1OPRD1CSNK1ECYP1A2
Hydrochloric Acid SCHEMBL7306058 0.88 CSNK1E (0.49) OPRK1OPRD1CSNK1ESPPL2AEPHX1
Hydrochloric Acid SCHEMBL7306053 0.88 CSNK1E (0.49) OPRK1OPRD1CSNK1ESPPL2AEPHX1
SCHEMBL7932110 0.82 SPPL2A (0.50) OPRK1CSNK1ECYP2D6SPPL2AEPHX1
SCHEMBL16920027 0.82 SPPL2A (0.50) OPRK1CSNK1ECYP2D6SPPL2AEPHX1
SCHEMBL496229 0.81 CSNK1E (0.49) CSNK1ECYP2D6SPPL2AEPHX1SIGMAR1
Hydrochloric Acid SCHEMBL496211 0.79 CSNK1E (0.48) CSNK1ECYP2D6SPPL2AEPHX1SIGMAR1
Hydrochloric Acid SCHEMBL4753935 0.79 CSNK1E (0.48) CSNK1ECYP2D6SPPL2AEPHX1SIGMAR1
Hydrochloric Acid SCHEMBL4753936 0.79 CSNK1E (0.48) CSNK1ECYP2D6SPPL2AEPHX1SIGMAR1
SCHEMBL6447559 0.78 CSNK1E (0.49) OPRK1OPRD1CSNK1ESPPL2AEPHX1

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 OPRK1 76/4885OPRM1 124/4885OPRD1 43/4885

“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.