SCHEMBL4047826

SCHEMBL4047826

C[C@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)Nc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
RAB9A P51151 3/20 0.53
HTT P42858 1/20 0.50
REN P00797 2/20 0.48
CTSD P07339 1/20 0.46
ALOX15 P16050 1/20 0.46
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.45
NOTUM Q6P988 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
MMP1 P03956 1/20 0.44
TBXAS1 P24557 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL4041336 0.88 REN (0.56) RAB9ARENNPC1MEN1KMT2A
SCHEMBL4042459 0.87 REN (0.51) RAB9AHTTRENNPC1MEN1
SCHEMBL4039777 0.80 REN (0.52) RENGAASMN1; SMN2LMNAMMP1
SCHEMBL18439983 0.78 RAB9A (0.61) PKMRAB9AHTTALOX15NPC1
SCHEMBL4041807 0.76 REN (0.62) RENKMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL4044758 0.76 REN (0.48) RAB9ARENNPC1MEN1KMT2A
SCHEMBL5619200 0.75 REN (0.53) PKMRENCYP1A2CYP2D6
SCHEMBL14032665 0.75 RAB9A (0.64) PKMRAB9AHTTALOX15NPC1
SCHEMBL4040270 0.75 NPSR1 (0.48) PKMRAB9ARENNPC1MEN1
SCHEMBL9724847 0.74 PKM (0.65) PKMRAB9AHTTNPC1NOTUM

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 PKM 3523/4885RAB9A 2751/4885HTT 422/4885

“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.