SCHEMBL3032847

SCHEMBL3032847

[CH2]CCCC(=O)N1CCN(CCCCCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.69
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
HTR7 P34969 2/20 0.59
TSHR P16473 1/20 0.59
HTR1A P08908 1/20 0.59
CACNA1F O60840 1/20 0.58
DRD1 P21728 1/20 0.58
DRD4 P21917 1/20 0.58
DRD5 P21918 1/20 0.58
HRH2 P25021 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
ADRA1A P35348 1/20 0.58
HRH1 P35367 1/20 0.58
ADRA1B P35368 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
OPRD1 P41143 1/20 0.58

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
SCHEMBL3031922 0.92 SIGMAR1 (0.71) SIGMAR1NPC1RAB9AHTR7TSHR
SCHEMBL3134003 0.91 SIGMAR1 (0.74) SIGMAR1NPC1RAB9AHTR7TSHR
SCHEMBL29300288 0.81 SIGMAR1 (0.65) SIGMAR1NPC1RAB9AHTR7TSHR
SCHEMBL27564818 0.81 SIGMAR1 (0.76) SIGMAR1CCR3
SCHEMBL27683361 0.81 SIGMAR1 (0.74) SIGMAR1NPC1RAB9AHTR7TSHR
SCHEMBL3026722 0.80 HTR7 (0.59) NPC1RAB9AHTR7
SCHEMBL30671736 0.80 SIGMAR1 (0.70) SIGMAR1HTR7OPRK1CCR3
SCHEMBL3021229 0.79 TRPV1 (0.65) TSHRKDM4E
SCHEMBL30671731 0.79 SIGMAR1 (0.97) SIGMAR1HTR2AKDM4ECCR3
SCHEMBL8092982 0.78 SIGMAR1 (0.85) SIGMAR1TSHRCCR3

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 16 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-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
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 (5 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 SIGMAR1 52/4885NPC1 1029/4885RAB9A 2782/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SIGMAR1 549/4885NPC1 3333/4885RAB9A 3051/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 SIGMAR1 683/4885NPC1 4037/4885RAB9A 3779/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 SIGMAR1 21/4885NPC1 1397/4885RAB9A 2323/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SIGMAR1 136/4885NPC1 2588/4885RAB9A 3123/4885

“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.