SCHEMBL6034796

SCHEMBL6034796

O=C(O)Nc1cnccc1CCCN1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
NAMPT P43490 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 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
SCHEMBL6035089 0.92 HRH3 (0.45) CHRNA7NAMPTL3MBTL1TDP1HRH3
SCHEMBL6035809 0.84 CACNA1B (0.46) KDM4EALDH1A1ALOX15KMT2AMEN1
SCHEMBL6035419 0.83 ACHE (0.46) CHRNA7NAMPT
SCHEMBL6034958 0.76 KDM4C (0.40) KDM4E
SCHEMBL6595468 0.75 ACHE (0.42) NAMPTL3MBTL1TDP1HRH3CYP1A2
SCHEMBL6034080 0.74 HRH3 (0.47) L3MBTL1TDP1HRH3CYP1A2CYP3A4
SCHEMBL6034128 0.73 KDM4E (0.41) KDM4EALDH1A1KMT2ALMNA
SCHEMBL4640764 0.71 HRH3 (0.49) L3MBTL1TDP1HRH3CYP1A2CYP3A4
SCHEMBL6034173 0.70 GSK3B (0.53)
SCHEMBL6035358 0.68 CCNE2 (0.42)

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 CHRNA7 305/4885NAMPT 1506/4885L3MBTL1 2143/4885

“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.