SCHEMBL98038

SCHEMBL98038

[CH2]C(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
SLC6A4 P31645 3/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A3 Q01959 2/20 0.56
CYP2D6 P10635 3/20 0.53
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 2/20 0.47
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
ACACB O00763 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL271116 0.89 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL5018909 0.85 TAAR1 (0.59) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL3841679 0.82 TAAR1 (0.81) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL19969484 0.82 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL22885190 0.82 TAAR1 (0.81) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL14199081 0.82 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL2780037 0.79 TAAR1 (0.82) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL29565154 0.79 TAAR1 (0.82) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL18132989 0.79 CYP3A4 (0.57) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL12775573 0.79 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US 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 (4 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TAAR1 351/4885SLC6A4 2694/4885SLC6A2 3465/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TAAR1 2154/4885SLC6A4 3312/4885SLC6A2 4323/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TAAR1 1639/4885SLC6A4 3724/4885SLC6A2 4154/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TAAR1 644/4885SLC6A4 3049/4885SLC6A2 3741/4885

“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.