SCHEMBL96852

SCHEMBL96852

[CH2]CCCN1CCc2ccccc2C1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.59
HTR1A P08908 7/20 0.59
DRD3 P35462 5/20 0.59
DRD2 P14416 4/20 0.57
HTR2A P28223 4/20 0.57
HTR2B P41595 4/20 0.57
HRH1 P35367 3/20 0.57
SLC6A4 P31645 2/20 0.57
HTR5A P47898 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
TDP1 Q9NUW8 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 0.95 HTR7 (0.61) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL95428 0.93 HTR7 (0.60) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL95301 0.89 KDM4E (0.58) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL29142480 0.82 MEN1 (0.61) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL155413 0.82 ALDH1A1 (0.64) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL13487703 0.82 HTR7 (0.63) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL1828054 0.82 HTR1A (0.61) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL30296953 0.82 ALDH1A1 (0.64) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL2795026 0.82 HTR7 (0.63) HTR7HTR1ADRD3DRD2HTR2A
SCHEMBL30305062 0.82 HTR1A (0.61) HTR7HTR1ADRD3DRD2HTR2A

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.