SCHEMBL95026

SCHEMBL95026

[CH2]c1ccc(C(=O)N2CCC(N(C)C(=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.55
KCNH2 Q12809 1/20 0.53
L3MBTL3 Q96JM7 1/20 0.52
ABL1 P00519 2/20 0.49
RIN1 Q13671 2/20 0.49
SIGMAR1 Q99720 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL94743 0.83 L3MBTL3 (0.57) CCR5L3MBTL3ABL1RIN1ACHE
SCHEMBL13478902 0.79 L3MBTL3 (0.57) CCR5L3MBTL3ABL1RIN1KMT2A
SCHEMBL12359048 0.79 CCR5 (0.69) CCR5KCNH2SIGMAR1KMT2A
SCHEMBL13434079 0.78 CCR5 (0.63) CCR5KCNH2SIGMAR1
SCHEMBL95918 0.76 HTT (0.69) KMT2A
SCHEMBL4283829 0.74 CCR5 (0.62) CCR5KCNH2SIGMAR1KMT2A
SCHEMBL8917126 0.72 L3MBTL3 (0.84) CCR5L3MBTL3SIGMAR1KMT2AACHE
SCHEMBL3048764 0.72 CCR5 (0.71) CCR5KCNH2KMT2A
SCHEMBL95659 0.72 CA12 (0.67) CCR5KMT2AACHE
SCHEMBL7292853 0.71 L3MBTL3 (0.55) L3MBTL3KMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CCR5 1563/4885KCNH2 3417/4885L3MBTL3 1998/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CCR5 488/4885KCNH2 3445/4885L3MBTL3 889/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CCR5 488/4885KCNH2 3445/4885L3MBTL3 889/4885

“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.