SCHEMBL5366499

SCHEMBL5366499

O=C1c2cccc(N3CCNCC3)c2Oc2ccccc2N1Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.58
KDM4E B2RXH2 4/20 0.46
UBE2N P61088 1/20 0.46
ATM Q13315 1/20 0.46
CYP1B1 Q16678 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CCR6 P51684 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL5364893 0.89 HTR6 (0.65) HTR6TDP1ALDH1A1MAPTL3MBTL1
SCHEMBL5366505 0.83 HTR6 (0.74) HTR6UBE2NTDP1ALDH1A1POLB
SCHEMBL5357019 0.83 HTR6 (0.64) HTR6KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL5361817 0.83 HTR6 (0.64) HTR6POLBSMN1; SMN2MEN1MAPT
SCHEMBL5366734 0.83 HTR6 (0.64) HTR6SMN1; SMN2KMT2AADRB1
SCHEMBL5361156 0.83 HTR6 (0.68) HTR6UBE2NATML3MBTL1LMNA
SCHEMBL5360234 0.82 HTR6 (0.83) HTR6ATMALDH1A1SMN1; SMN2MAPT
SCHEMBL5363785 0.82 HTR6 (0.62) HTR6MAPTADRB1DRD2DRD3
SCHEMBL8263965 0.82 HTR6 (0.56) HTR6ATMADRB1DRD2DRD4
SCHEMBL5361814 0.81 HTR6 (0.61) HTR6KDM4EATMALDH1A1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US claimed
US-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 US claimed
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US disclosed
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US disclosed
US-7229984-B2 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2007-06-12 US disclosed
US-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof ROCHE PALO ALTO LLC 2006-07-13 US disclosed
WO-2006061126-A2 DIBENZOXAZEPINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 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-20060154914-A1 Dibenzoxazepinone derivatives and uses thereof HTR6, BDKRB1, HTR7 HTR6 1/4885KDM4E 1879/4885UBE2N 2414/4885

“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.