SCHEMBL94951

SCHEMBL94951

O=C1NC(=O)C(Cc2cccc3c2CCC(=O)N3CC2CCN(c3ccc(-c4ccccc4)cc3)CC2)S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.38
▸ FFAR1 O14842 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PPARG P37231 3/20 0.34
▸ DRD2 P14416 7/20 0.32
▸ DRD4 P21917 6/20 0.32
▸ DRD3 P35462 6/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ CHRM1 P11229 4/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ADRB2 P07550 2/20 0.31
▸ CHRM2 P08172 2/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ ADRB1 P08588 2/20 0.31
▸ CHRM5 P08912 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ ADRA1D P25100 2/20 0.31
▸ ADRA1A P35348 2/20 0.31

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
SCHEMBL95362 0.91 DRD2 (0.36) DRD2DRD4DRD3CHRM1KCNH2
SCHEMBL13598450 0.76 PPARG (0.41) FFAR1PPARGKCNH2
SCHEMBL13598452 0.74 CA2 (0.41) HRH3
SCHEMBL97390 0.74 CHRM1 (0.38) HRH3PPARGDRD2DRD4DRD3
SCHEMBL97366 0.74 NMT1 (0.35) PPARGDRD2DRD4DRD3CHRM1
SCHEMBL13598451 0.73 CHRM1 (0.35) HRH3DRD2DRD4DRD3CHRM1
SCHEMBL98188 0.73 CA2 (0.46) FFAR1SMN1; SMN2
SCHEMBL13598449 0.72 FFAR1 (0.44) HRH3FFAR1PPARGCHRM1CHRM5
SCHEMBL13602468 0.71 GPR119 (0.39) —
SCHEMBL13598463 0.69 GRIN2B (0.41) CHRM1KCNH2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP claimed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US claimed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 — — US claimed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 — — EP claimed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 — — WO claimed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US claimed
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
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 HRH3 1957/4885FFAR1 2284/4885FFAR4 3769/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HRH3 303/4885FFAR1 505/4885FFAR4 855/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HRH3 303/4885FFAR1 505/4885FFAR4 855/4885

“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.

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