SCHEMBL94743

SCHEMBL94743

[CH2]c1ccc(C(=O)N(C)C2CCN(C(=O)c3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 3/20 0.57
ACHE P22303 1/20 0.57
ABL1 P00519 2/20 0.55
RIN1 Q13671 2/20 0.55
USP30 Q70CQ3 2/20 0.50
MASP2 O00187 1/20 0.49
CTSG P08311 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GRM5 P41594 1/20 0.49
KDM5A P29375 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CCR5 P51681 2/20 0.47
PDK2 Q15119 1/20 0.47
SMO Q99835 1/20 0.47
EPHX1 P07099 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL95193 0.84 MCHR1 (0.53) L3MBTL3USP30CCR5PDK2SMO
SCHEMBL95026 0.83 CCR5 (0.55) L3MBTL3ACHEABL1RIN1CCR5
SCHEMBL94337 0.81 MCHR1 (0.50) USP30ALDH1A1L3MBTL1CCR5PDK2
SCHEMBL8917126 0.79 L3MBTL3 (0.84) L3MBTL3ACHEL3MBTL1CCR5EPHX1
SCHEMBL3329900 0.78 CCR5 (0.55) USP30CCR5CCR3
SCHEMBL13478902 0.77 L3MBTL3 (0.57) L3MBTL3ACHEABL1RIN1ALDH1A1
SCHEMBL3840449 0.77 CCR3 (0.51) ABL1RIN1USP30ALDH1A1L3MBTL1
SCHEMBL9001749 0.77 CCR3 (0.51) ABL1RIN1USP30ALDH1A1L3MBTL1
SCHEMBL95169 0.76 ALDH1A1 (0.58) ALDH1A1
SCHEMBL95659 0.75 CA12 (0.67) ACHEALDH1A1GRM5CCR5EPHX1

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 10 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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (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 L3MBTL3 1998/4885ACHE 4609/4885ABL1 249/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 L3MBTL3 889/4885ACHE 3708/4885ABL1 759/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 L3MBTL3 889/4885ACHE 3708/4885ABL1 759/4885

“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.