SCHEMBL4048957

SCHEMBL4048957

COc1ccc(CCNC[C@@H](O)[C@@H](N)Cc2ccccc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.65
ADRB1 P08588 10/20 0.58
ADRB3 P13945 7/20 0.58
LMNA P02545 3/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SLC22A1 O15245 1/20 0.55
CHRM2 P08172 1/20 0.55
CYP3A4 P08684 1/20 0.55
CHRM1 P11229 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
OPRM1 P35372 1/20 0.55
HIF1A Q16665 1/20 0.55
OXTR P30559 1/20 0.54
AVPR1A P37288 1/20 0.54
HTT P42858 1/20 0.54
DRD2 P14416 2/20 0.51

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
SCHEMBL5221072 0.88 F2 (0.52) ADRB2LMNACYP3A4HTTMEN1
SCHEMBL3353932 0.85 BCHE (0.52) ADRB2ADRB1ADRB3ALDH1A1CHRM2
SCHEMBL3349155 0.84 KDM4E (0.58) ADRB2ADRB1ADRB3ALDH1A1MEN1
Hydrochloric Acid SCHEMBL5225498 0.84 BCHE (0.51) ADRB2ADRB1ADRB3ALDH1A1CHRM2
Hydrochloric Acid SCHEMBL5219220 0.83 ANPEP (0.57) ADRB2ADRB1ADRB3ALDH1A1MEN1
SCHEMBL4044406 0.83 BCHE (0.55) ADRB2ADRB1ADRB3LMNAALDH1A1
SCHEMBL5382650 0.83 ANPEP (0.47) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL3350055 0.83 CAPN1 (0.50) ADRB2ADRB1ADRB3ADRA1AMEN1
Hydrochloric Acid SCHEMBL5220636 0.82 BCHE (0.54) ADRB2ADRB1ADRB3LMNAALDH1A1
Hydrochloric Acid SCHEMBL5219504 0.82 ANPEP (0.46) ADRB2ADRB1ADRB3MEN1KMT2A

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 ADRB2 44/4885ADRB1 121/4885ADRB3 115/4885

“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.