SCHEMBL4023748

SCHEMBL4023748

CSc1cc(F)ccc1C1(O)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
RORC P51449 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NOS2 P35228 1/20 0.44
KDM1A O60341 3/20 0.43
CYP2C19 P33261 1/20 0.43
TMEM97 Q5BJF2 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
HRH2 P25021 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL6608577 0.89 XIAP (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6611044 0.88 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6604538 0.88 SCN5A (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4031013 0.84 MEN1 (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6608659 0.82 SCN5A (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8696969 0.80 RORC (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29087291 0.79 PTGDR2 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7501537 0.78 APP (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL748649 0.78 MEN1 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7676544 0.78 NOS2 (0.49) 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.