SCHEMBL5361676

SCHEMBL5361676

O=C1c2cc(Cl)cc(N3CCNCC3)c2Oc2ccccc2N1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.54
EGFR P00533 3/20 0.43
PIM1 P11309 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ALDH2 P05091 2/20 0.42
ALDH3A1 P30838 2/20 0.42
CHRM1 P11229 2/20 0.41
LMNA P02545 2/20 0.41
HTR1A P08908 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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 0.87 HTR6 (0.65) HTR6EGFRALDH1A1ALDH2ALDH3A1
SCHEMBL5361668 0.86 HTR6 (0.66) HTR6EGFRPIM1ALDH1A1ALDH2
SCHEMBL5357019 0.86 HTR6 (0.64) HTR6ALDH3A1LMNAKDM4EMEN1
SCHEMBL5372213 0.81 HTR6 (0.68) HTR6PIM1ALDH1A1ALDH3A1LMNA
SCHEMBL5366505 0.80 HTR6 (0.74) HTR6EGFRALDH1A1ALDH3A1CHRM1
SCHEMBL5361817 0.80 HTR6 (0.64) HTR6LMNAHTR1AMEN1HTR3A
SCHEMBL5366734 0.80 HTR6 (0.64) HTR6EGFRHTR1ASLC6A2SLC6A4
SCHEMBL5361156 0.80 HTR6 (0.68) HTR6EGFRALDH3A1LMNAHTR1A
SCHEMBL5364715 0.79 HTR6 (0.82) HTR6EGFRALDH1A1ALDH2ALDH3A1
SCHEMBL5356843 0.79 HTR6 (0.70) HTR6EGFRALDH1A1ALDH2ALDH3A1

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 1/4885EGFR 1718/4885PIM1 4388/4885

“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.