SCHEMBL5366706

SCHEMBL5366706

O=C1c2cccc(N3CCNCC3)c2Oc2ccccc2N1CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.54
ALDH1A1 P00352 2/20 0.48
ALDH2 P05091 2/20 0.48
ALDH3A1 P30838 2/20 0.48
PKM P14618 1/20 0.48
HTR1A P08908 2/20 0.45
SIGMAR1 Q99720 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB1 P08588 1/20 0.41
CYP1B1 Q16678 1/20 0.40
HDAC3 O15379 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
HDAC4 P56524 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 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 SCHEMBL5357248 0.99 HTR6 (0.53) HTR6ALDH1A1ALDH2ALDH3A1PKM
SCHEMBL5360932 0.94 HTR6 (0.55) HTR6ALDH1A1ALDH2ALDH3A1PKM
Hydrochloric Acid SCHEMBL5429686 0.93 HTR6 (0.54) HTR6ALDH1A1ALDH2ALDH3A1PKM
SCHEMBL5364893 0.87 HTR6 (0.65) HTR6ALDH1A1ALDH2ALDH3A1HTR1A
SCHEMBL5362209 0.84 HTR6 (0.61) HTR6ALDH1A1ALDH2ALDH3A1HTR1A
Hydrochloric Acid SCHEMBL5363890 0.83 HTR6 (0.60) HTR6ALDH1A1ALDH2ALDH3A1HTR1A
SCHEMBL5360129 0.81 HTR6 (0.51) HTR6ALDH1A1ALDH2ALDH3A1HTR1A
SCHEMBL5357019 0.80 HTR6 (0.64) HTR6ALDH3A1
SCHEMBL5366505 0.80 HTR6 (0.74) HTR6ALDH1A1ALDH3A1HTR1ATDP1
SCHEMBL5366734 0.80 HTR6 (0.64) HTR6PKMHTR1AADRB1

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
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-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 1/4885ALDH1A1 1336/4885ALDH2 2917/4885

“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.