SCHEMBL96857

SCHEMBL96857

COc1cccc2c1N(C)C(=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.48
PTK2 Q05397 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TRIM24 O15164 1/20 0.43
SRD5A1 P18405 1/20 0.43
DRD2 P14416 3/20 0.42
DRD3 P35462 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GAA P10253 1/20 0.39
CASP3 P42574 1/20 0.39
CASP6 P55212 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 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
SCHEMBL5289616 0.87 HTR5A (0.39) AADATPTK2CYP3A4CYP19A1CYP11B1
SCHEMBL8999207 0.85 GAA (0.47) AADATDRD2DRD3DRD1DRD5
SCHEMBL31448552 0.81 SRD5A1 (0.42) PTK2TRIM24SRD5A1GAA
SCHEMBL31448535 0.79 RHEB (0.43) PTK2SRD5A1DRD2
SCHEMBL8555101 0.77 SRD5A1 (0.46) AADATCYP19A1CYP11B1CYP11B2SRD5A1
SCHEMBL10889128 0.77 SRD5A1 (0.46) CYP3A4CYP19A1CYP11B1CYP11B2SRD5A1
SCHEMBL8844887 0.77 HTR7 (0.48) AADATDRD2DRD3DRD5DRD4
SCHEMBL31448508 0.76 SRD5A1 (0.43) PTK2CYP11B1CYP11B2SRD5A1
SCHEMBL31448415 0.76 RHEB (0.42) PTK2CYP3A4SRD5A1
SCHEMBL2230517 0.76 HTR7 (0.47) AADATDRD2DRD3DRD5DRD4

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 AADAT 1456/4885PTK2 442/4885CYP3A4 953/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 AADAT 1456/4885PTK2 442/4885CYP3A4 953/4885

“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.