SCHEMBL6035299

SCHEMBL6035299

O=C(O)N1CCN(CCOc2cc(F)c(Br)cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.47
KDM4E B2RXH2 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNA5 P22460 3/20 0.40
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD3 P35462 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6035859 0.83 SCN9A (0.48) HTR1BKDM4ETDP1
SCHEMBL6034267 0.82 LTA4H (0.52) KDM4ETDP1MEN1KMT2ALTA4H
SCHEMBL6595968 0.79 SIGMAR1 (0.42) HTR1BKDM4ETDP1LTA4HALDH1A1
SCHEMBL6034052 0.79 POLB (0.52) KDM4EPOLBALDH1A1MAPTHTT
SCHEMBL22118083 0.76 HTR1B (0.58) HTR1BKDM4ETDP1POLBMEN1
SCHEMBL22118037 0.72 HTR1B (0.54) HTR1BKDM4ETDP1POLBMEN1
SCHEMBL6034033 0.71 KCNA5 (0.64) KDM4EKCNA5LTA4HRAB9ASMN1; SMN2
SCHEMBL3972559 0.71 KCNA5 (0.64) KCNA5LTA4HALDH1A1SIGMAR1DRD3
SCHEMBL26690637 0.70 HTR1B (0.48) HTR1BKDM4ETDP1POLBMEN1
SCHEMBL17422280 0.69 KDM4E (0.48) HTR1BKDM4EMEN1KMT2AKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL HTR1B 116/4885KDM4E 1319/4885TDP1 1566/4885

“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.