SCHEMBL4039177

SCHEMBL4039177

C[C@H](NC[C@@H](O)[C@@H](N)Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.56
BCHE P06276 1/20 0.53
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 5/20 0.50
KCNH2 Q12809 4/20 0.50
CYP2D6 P10635 3/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
UGT2B7 P16662 1/20 0.44
RAB9A P51151 1/20 0.44
TPH1 P17752 5/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 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
SCHEMBL3347420 0.85 BCHE (0.70) F2BCHESLC6A2SLC6A4SLC6A3
SCHEMBL3350343 0.85 BCHE (0.70) F2BCHESLC6A2SLC6A4SLC6A3
SCHEMBL3352220 0.85 BCHE (0.70) F2BCHESLC6A2SLC6A4SLC6A3
SCHEMBL4038828 0.82 BCHE (0.56) F2BCHESLC6A2SLC6A4SLC6A3
SCHEMBL4041251 0.82 CASR (0.62) BCHE
Hydrochloric Acid SCHEMBL5225349 0.81 CASR (0.60) BCHESLC6A2KMT2A
SCHEMBL5382881 0.78 CSNK1E (0.53) F2BCHESLC6A2SLC6A4SLC6A3
SCHEMBL6895040 0.78 METAP2 (0.53) F2BCHESLC6A2SLC6A4SLC6A3
SCHEMBL3354050 0.78 METAP2 (0.53) F2BCHESLC6A2SLC6A4SLC6A3
SCHEMBL3351722 0.78 METAP2 (0.53) F2BCHESLC6A2SLC6A4SLC6A3

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 F2 452/4885BCHE 3/4885SLC6A2 835/4885

“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.