SCHEMBL95193

SCHEMBL95193

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.53
PDK2 Q15119 2/20 0.51
L3MBTL3 Q96JM7 1/20 0.48
USP30 Q70CQ3 2/20 0.46
NPY5R Q15761 1/20 0.45
SMO Q99835 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL17572995 0.87 MCHR1 (0.54) MCHR1PDK2L3MBTL3USP30NPY5R
SCHEMBL17559448 0.86 MCHR1 (0.53) MCHR1PDK2L3MBTL3USP30NPY5R
SCHEMBL6538705 0.86 CCR5 (0.57) MCHR1PDK2L3MBTL3NPY5RCCR5
SCHEMBL94337 0.85 MCHR1 (0.50) MCHR1PDK2USP30CCR5
Lithium Ion SCHEMBL17559446 0.84 MCHR1 (0.52) MCHR1PDK2L3MBTL3USP30NPY5R
SCHEMBL94743 0.84 L3MBTL3 (0.57) PDK2L3MBTL3USP30SMOCCR5
SCHEMBL17559476 0.83 PDK2 (0.52) MCHR1PDK2L3MBTL3USP30NPY5R
SCHEMBL95169 0.80 ALDH1A1 (0.58)
SCHEMBL20772948 0.78 MCHR1 (0.47) MCHR1PDK2L3MBTL3NPY5R
SCHEMBL562825 0.76 POLB (0.50) MCHR1PDK2L3MBTL3NPY5RSMO

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 8 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

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 MCHR1 4289/4885PDK2 2251/4885L3MBTL3 1998/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MCHR1 1377/4885PDK2 2311/4885L3MBTL3 889/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MCHR1 1377/4885PDK2 2311/4885L3MBTL3 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.