SCHEMBL4221533

SCHEMBL4221533

O=C(C=Cc1cnc(N[C@@H]2CCN(Cc3cccc(F)c3)C2)c(Cl)c1)NOC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.42
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
SCN1A P35498 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SIGMAR1 Q99720 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
PDE1C Q14123 2/20 0.36
PDE1B Q01064 1/20 0.36
KDM1A O60341 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4221524 1.00 CCR3 (0.42) CCR3MAOAACHEMAOBSCN1A
SCHEMBL4223890 0.96 ACHE (0.42) CCR3MAOAACHEMAOBKMT2A
SCHEMBL4223902 0.96 ACHE (0.42) CCR3MAOAACHEMAOBKMT2A
SCHEMBL4228366 0.93 CCR3 (0.42) CCR3MAOAACHEMAOBSCN1A
SCHEMBL4228371 0.93 CCR3 (0.42) CCR3MAOAACHEMAOBSCN1A
SCHEMBL4221283 0.93 SCN1A (0.45) CCR3MAOAACHEMAOBSCN1A
SCHEMBL4217947 0.93 SCN1A (0.45) CCR3MAOAACHEMAOBSCN1A
SCHEMBL4221277 0.93 SCN1A (0.45) CCR3MAOAACHEMAOBSCN1A
SCHEMBL4217956 0.93 SCN1A (0.45) CCR3MAOAACHEMAOBSCN1A
SCHEMBL4221070 0.92 SCN8A (0.40) MAOAMAOBSCN1ASCN8ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 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 (2 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 CCR3 3068/4885MAOA 823/4885ACHE 4051/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 CCR3 3156/4885MAOA 515/4885ACHE 3895/4885

“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.