SCHEMBL4039175

SCHEMBL4039175

NC(=O)[C@@H](NC[C@H](O)[CH]Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 11/20 0.40
SLC6A4 P31645 11/20 0.40
SLC6A3 Q01959 11/20 0.40
KCNH2 Q12809 8/20 0.40
CYP3A4 P08684 6/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
UTS2R Q9UKP6 2/20 0.39

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
SCHEMBL4047002 0.87 EPHX1 (0.42) MEN1KMT2A
SCHEMBL4038825 0.84 CYP2D6 (0.40) CYP2D6MEN1KMT2ACYP2C19
SCHEMBL4041249 0.82 MTNR1A (0.48) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4041830 0.73 METAP2 (0.41) CYP2D6TSHRCYP1A2HIF1ASLC6A2
SCHEMBL4044904 0.71 EPHX1 (0.51) CYP2C19
SCHEMBL4039325 0.69 EPHX1 (0.38) CYP2D6TSHRCYP1A2ALOX15CYP2C19
SCHEMBL28605610 0.68 EPHX1 (0.68) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3939381 0.68 BCHE (0.47)
SCHEMBL31527785 0.67 KMT2A (0.48) CYP2D6TSHRKMT2ASLC6A2SLC6A4
SCHEMBL28753485 0.67 KMT2A (0.48) CYP2D6TSHRKMT2ASLC6A2SLC6A4

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 3 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

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 CYP2D6 613/4885TSHR 4195/4885MEN1 2564/4885

“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.