SCHEMBL5356729

SCHEMBL5356729

CN1CCN(c2cccc3c2Oc2ccccc2NC3)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ADRA2C P18825 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
ALOX12 P18054 1/20 0.40
PMP22 Q01453 1/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
EGFR P00533 1/20 0.38
HSD17B3 P37058 1/20 0.37
DRD4 P21917 1/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL13098108 0.73 GAA (0.62) GAANPSR1LMNAKMT2AMAPT
SCHEMBL8561609 0.73 GAA (0.62) GAANPSR1KMT2AMAPTMEN1
SCHEMBL5266091 0.72 DRD2 (0.45) GAAADRA2CLMNAMAPK1HTR1A
SCHEMBL13741102 0.70 DRD2 (0.43) ADRA2CLMNAMAPK1HTR1ADRD2
SCHEMBL13098137 0.70 GAA (0.57) GAANPSR1LMNAMAPK1KMT2A
SCHEMBL1368071 0.69 GAA (1.00) GAANPSR1LMNAKMT2AMAPT
SCHEMBL5359506 0.69 HTR6 (0.56) LMNACYP3A4HTR1ADRD2DRD3
SCHEMBL24605901 0.68 DRD2 (0.54) LMNAMAPK1ALDH1A1CYP3A4HTR1A
SCHEMBL13499602 0.68 ADRB1 (0.67) LMNAMAPK1ALDH1A1CYP3A4HTR1A
SCHEMBL31051847 0.68 ADRB1 (0.67) LMNAMAPK1ALDH1A1CYP3A4HTR1A

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-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 GAA 3310/4885NPSR1 50/4885ADRA2C 19/4885

“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.