SCHEMBL5366505

SCHEMBL5366505

O=C1c2cccc(N3CCNCC3)c2Oc2ccccc2N1Cc1cccc(F)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.74
UBE2N P61088 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
EGFR P00533 4/20 0.46
ALDH1A1 P00352 1/20 0.45
ALDH3A1 P30838 1/20 0.45
POLB P06746 4/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.42
HTR1A P08908 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
MAPT P10636 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL5361156 0.90 HTR6 (0.68) HTR6UBE2NEGFRALDH3A1LMNA
SCHEMBL5364893 0.90 HTR6 (0.65) HTR6TDP1EGFRALDH1A1ALDH3A1
SCHEMBL5364715 0.89 HTR6 (0.82) HTR6UBE2NTDP1EGFRALDH1A1
SCHEMBL5356843 0.89 HTR6 (0.70) HTR6UBE2NTDP1EGFRALDH1A1
SCHEMBL5360234 0.89 HTR6 (0.83) HTR6EGFRALDH1A1LMNASLC6A4
SCHEMBL5366734 0.88 HTR6 (0.64) HTR6KMT2AEGFRHTR1ASLC6A2
SCHEMBL5357019 0.88 HTR6 (0.64) HTR6MEN1KMT2AALDH3A1POLB
SCHEMBL5361817 0.88 HTR6 (0.64) HTR6MEN1KMT2APOLBLMNA
SCHEMBL5363785 0.87 HTR6 (0.62) HTR6HTR1ASLC6A2SLC6A4MAPT
SCHEMBL5360955 0.86 HTR6 (0.80) HTR6UBE2NTDP1EGFRALDH3A1

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 1/4885UBE2N 2414/4885TDP1 3123/4885

“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.