SCHEMBL97064

SCHEMBL97064

COc1ccc(-c2ccccc2)c2c1CCC(=O)N2Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.47
▸ HCRTR2 O43614 3/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ BRD4 O60885 1/20 0.45
▸ PDE4A P27815 2/20 0.45
▸ PDE4B Q07343 2/20 0.45
▸ PDE4C Q08493 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ PDE3A Q14432 2/20 0.45
▸ PDE3B Q13370 1/20 0.45
▸ FAAH O00519 2/20 0.43
▸ MGLL Q99685 2/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ DCTPP1 Q9H773 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ AGTR2 P50052 1/20 0.40
▸ CHRM5 P08912 2/20 0.39

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
SCHEMBL97203 0.85 CHRM5 (0.42) HCRTR1HCRTR2HDAC1HDAC6BRD4
SCHEMBL95681 0.83 HDAC7 (0.46) PDE3AFAAHMGLLHDAC7DCTPP1
SCHEMBL97124 0.81 FAAH (0.43) PDE3AFAAHMGLLHDAC7GRM2
SCHEMBL96096 0.81 FAAH (0.43) BRD4PDE3AFAAHMGLLHDAC7
Pyridine SCHEMBL5289557 0.80 CHRM5 (0.39) HCRTR1HCRTR2PDE4APDE4BPDE4C
SCHEMBL5769842 0.76 MGLL (0.65) FAAHMGLLHDAC7GRM2DCTPP1
SCHEMBL97250 0.74 BRD4 (0.48) HCRTR1HCRTR2BRD4PDE4APDE4B
SCHEMBL95205 0.74 CA2 (0.45) HCRTR1HCRTR2BRD4PDE4APDE4B
SCHEMBL5297293 0.73 BRD4 (0.47) HCRTR1HCRTR2BRD4PDE4APDE4B
SCHEMBL94320 0.72 CA2 (0.46) HCRTR1HCRTR2BRD4PDE4APDE4B

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 517/4885HDAC1 1814/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HCRTR1 404/4885HCRTR2 517/4885HDAC1 1814/4885

“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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