SCHEMBL95428

SCHEMBL95428

[CH2]CCCCCN1CCc2ccccc2C1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.60
HTR1A P08908 7/20 0.60
DRD3 P35462 3/20 0.60
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
DRD2 P14416 2/20 0.57
HTR2A P28223 2/20 0.57
SLC6A4 P31645 2/20 0.57
HRH1 P35367 2/20 0.57
HTR2B P41595 2/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL96037 0.98 HTR7 (0.61) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL96852 0.93 HTR7 (0.59) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL95301 0.86 KDM4E (0.58) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL11038187 0.83 ALDH1A1 (0.75) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL4225899 0.83 HTR7 (0.62) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL23001347 0.83 ALDH1A1 (0.75) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL8429723 0.83 ALDH1A1 (0.75) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL910697 0.83 ALDH1A1 (0.75) HTR7HTR1ADRD3HDAC3HDAC1
SCHEMBL14393531 0.83 ALDH1A1 (0.75) HTR7HTR1ADRD3HDAC3HDAC1
Hydrochloric Acid SCHEMBL4224101 0.82 HTR7 (0.61) HTR7HTR1ADRD3HDAC3HDAC1

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 14 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN 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
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
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN 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 HTR7 4650/4885HTR1A 4456/4885DRD3 2928/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HTR7 4219/4885HTR1A 3267/4885DRD3 1453/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HTR7 4219/4885HTR1A 3267/4885DRD3 1453/4885

“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.