SCHEMBL3032841

SCHEMBL3032841

CC([C]=O)N1CCN(CCCc2ccc3c(c2)OCCCO3)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
CYP2D6 P10635 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL3032840 0.80 SIGMAR1 (0.34) CYP2D6SIGMAR1HTR1A
SCHEMBL16695191 0.79 CYP2D6 (0.50) CYP2D6ALDH1A1TRPV1SIGMAR1HTR1A
SCHEMBL2600465 0.76 DPP7 (0.52) CYP2D6ALDH1A1TRPV1KDM4ESIGMAR1
SCHEMBL3030540 0.76 TRPV1 (0.47) FPR3FPR2ALDH1A1TRPV1KDM4E
SCHEMBL3026649 0.76 SIGMAR1 (0.63) CYP2D6SIGMAR1
SCHEMBL16695160 0.75 ALDH1A1 (0.52) CYP2D6ALDH1A1TRPV1KDM4ESIGMAR1
SCHEMBL3821384 0.74 TRPV1 (0.51) ALDH1A1TRPV1KDM4EHTTTDP1
SCHEMBL19043227 0.73 SIGMAR1 (0.58) CYP2D6ALDH1A1KDM4EHTTSIGMAR1
SCHEMBL7996805 0.73 HRH1 (0.53) CYP2D6ALDH1A1TRPV1SIGMAR1HTR1A
SCHEMBL3027345 0.71 CYP2D6 (0.52) CYP2D6ALDH1A1PKMKDM4E

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 15 patents. 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-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US 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
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (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-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ADRA1D 4049/4885ADRA1A 3568/4885ADRA1B 3864/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ADRA1D 4316/4885ADRA1A 4000/4885ADRA1B 4128/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ADRA1D 1341/4885ADRA1A 1364/4885ADRA1B 2297/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ADRA1D 533/4885ADRA1A 353/4885ADRA1B 529/4885

“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.