SCHEMBL97993

SCHEMBL97993

COc1ccc(C2OCCO2)c2c1N(Cc1ccc(N(C)c3ccccc3)nc1)C(=O)CC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 8/20 0.34
▸ HCRTR2 O43614 8/20 0.34
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 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
SCHEMBL97451 0.83 BRD4 (0.35) HCRTR1HCRTR2PDE4APDE4BPDE4C
SCHEMBL98018 0.83 NPC1 (0.37) HCRTR1HCRTR2PDE4DALDH1A1POLB
SCHEMBL5305530 0.82 NPC1 (0.36) HCRTR1HCRTR2PDE4DALDH1A1POLB
SCHEMBL5305529 0.81 NPC1 (0.36) HCRTR1HCRTR2PDE4DALDH1A1POLB
SCHEMBL97263 0.78 CYP11B1 (0.38) HCRTR1HCRTR2PDE4DALDH1A1POLB
SCHEMBL5301145 0.74 CYP11B1 (0.35) HCRTR1HCRTR2PDE4DALDH1A1POLB
SCHEMBL10393831 0.66 CA2 (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL97250 0.63 BRD4 (0.48) HCRTR1HCRTR2PDE4APDE4BPDE4C
SCHEMBL5297293 0.62 BRD4 (0.47) HCRTR1HCRTR2PDE4APDE4BPDE4C
SCHEMBL5297286 0.62 BRD4 (0.46) HCRTR1HCRTR2PDE4APDE4BPDE4C

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-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 (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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HCRTR1 404/4885HCRTR2 517/4885PDE4A 3947/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HCRTR1 404/4885HCRTR2 517/4885PDE4A 3947/4885

“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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