SCHEMBL6000705

SCHEMBL6000705

CC1(C)CC/C(=N\O)c2cc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.36
MALT1 Q9UDY8 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
NCOA2 Q15596 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 1/20 0.33
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL5219527 1.00 PDE4B (0.36) PDE4BMALT1MEN1MAPTPPARG
SCHEMBL9084186 0.84 PDE4B (0.43) PDE4BMEN1MAPTPPARGKMT2A
SCHEMBL9084184 0.84 PDE4B (0.43) PDE4BMEN1MAPTPPARGKMT2A
SCHEMBL8524402 0.83 CYP2C19 (0.35) MEN1PPARGKMT2AUSP2CYP2C19
SCHEMBL8698223 0.83 CYP2C19 (0.35) MEN1PPARGKMT2AUSP2CYP2C19
SCHEMBL8524405 0.83 CYP2C19 (0.35) MEN1PPARGKMT2AUSP2CYP2C19
SCHEMBL2062036 0.79 MAPT (0.45) MALT1MEN1MAPTKMT2ACYP2C19
SCHEMBL2062037 0.79 MAPT (0.45) MALT1MEN1MAPTKMT2ACYP2C19
SCHEMBL1119857 0.77 HPGD (0.44) MEN1KMT2AUSP2CYP2C19L3MBTL1
SCHEMBL4970172 0.77 HPGD (0.44) MEN1KMT2AUSP2CYP2C19L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US 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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 PDE4B 747/4885MALT1 2573/4885MEN1 3581/4885

“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.