SCHEMBL4031013

SCHEMBL4031013

CSc1cc(F)c(C2(O)CCN(C(=O)OCc3ccccc3)CC2)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NOS2 P35228 1/20 0.42
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC2 Q92769 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM1A O60341 2/20 0.41
CYP2C19 P33261 1/20 0.40
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 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
SCHEMBL4023748 0.84 MEN1 (0.46) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL6611044 0.82 MEN1 (0.50) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL6608659 0.81 SCN5A (0.52) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL6604538 0.80 SCN5A (0.51) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL4025966 0.80 SMN1; SMN2 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6608577 0.79 XIAP (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29087291 0.78 PTGDR2 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL748649 0.77 MEN1 (0.46) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL7676544 0.74 NOS2 (0.49) MEN1KMT2ANPSR1SCN5ASCN9A
SCHEMBL6399505 0.74 MCHR1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP disclosed
US-7064136-B2 Compounds ASTRAZENECA AB (SE) 2006-06-20 US disclosed
US-20040058916-A1 Compounds ASTRAZENECA AB (SE) 2004-03-25 US disclosed
EP-1345899-A1 COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002051807-A1 COMPOUNDS ASTRAZENECA AB (SE) 2002-07-04 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-20040058916-A1 Compounds CYP11B2, CYP11B1, PCSK9 MEN1 117/4885KMT2A 4358/4885NPSR1 2652/4885

“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.