SCHEMBL5360129

SCHEMBL5360129

O=C1c2cccc(N3CCNCC3)c2Oc2c(F)cccc2N1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.51
ADRA1D P25100 7/20 0.48
ADRA1A P35348 7/20 0.48
ADRA1B P35368 7/20 0.48
ALDH1A1 P00352 2/20 0.44
PARK7 Q99497 2/20 0.44
ALDH2 P05091 1/20 0.44
ALDH3A1 P30838 1/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 1/20 0.43
HTR2A P28223 2/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 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
Hydrochloric Acid SCHEMBL5364749 0.99 HTR6 (0.50) HTR6ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5363674 0.90 HTR6 (0.59) HTR6ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5360932 0.87 HTR6 (0.55) HTR6ADRA1DADRA1AADRA1BALDH1A1
Hydrochloric Acid SCHEMBL5429686 0.86 HTR6 (0.54) HTR6ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5362209 0.85 HTR6 (0.61) HTR6ADRA1DADRA1AADRA1BALDH1A1
Hydrochloric Acid SCHEMBL5363890 0.84 HTR6 (0.60) HTR6ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL5356074 0.82 HTR6 (0.59) HTR6ADRA1DADRA1AADRA1BALDH3A1
SCHEMBL5366706 0.81 HTR6 (0.54) HTR6ALDH1A1PARK7ALDH2ALDH3A1
Hydrochloric Acid SCHEMBL5357248 0.80 HTR6 (0.53) HTR6ALDH1A1PARK7ALDH2ALDH3A1
SCHEMBL5361987 0.80 HTR6 (0.60) HTR6ADRA1DADRA1AADRA1BALDH1A1

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 8 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
WO-2006061126-A2 DIBENZOXAZEPINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO 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 1/4885ADRA1D 6/4885ADRA1A 17/4885

“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.