SCHEMBL2305909

SCHEMBL2305909

O=C(O)N1CCC(Oc2cccnc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.63
ALDH1A1 P00352 5/20 0.56
HTT P42858 1/20 0.56
SPR P35270 1/20 0.55
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL13519180 0.92 SPR (0.61) EPHX2ALDH1A1HTTSPRCHRNB2
SCHEMBL19741109 0.92 SPR (0.61) EPHX2ALDH1A1HTTSPRCHRNB2
SCHEMBL27145844 0.85 SPR (0.51) EPHX2ALDH1A1HTTSPRCHRNB2
SCHEMBL5271411 0.83 EPHX2 (0.59) EPHX2
SCHEMBL6123504 0.82 SPR (0.60) EPHX2ALDH1A1HTTSPRHRH3
SCHEMBL639198 0.82 EPHX2 (0.60) EPHX2ALDH1A1HTT
SCHEMBL639943 0.82 GPR119 (0.63) EPHX2ALDH1A1HTTSPR
SCHEMBL7368825 0.81 EPHX2 (0.59) EPHX2ALDH1A1HTTSPR
SCHEMBL2453004 0.81 GPR119 (0.52) EPHX2ALDH1A1HTTSPR
SCHEMBL30775373 0.80 SPR (0.58) EPHX2ALDH1A1HTTSPRCHRNB2

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-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
EP-2356101-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2011-08-17 EP disclosed
EP-2350003-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2011-08-03 EP disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO disclosed
WO-2010051977-A1 SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS Grünenthal GmbH (DE) 2010-05-14 WO disclosed
WO-2010046109-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2010-04-29 WO disclosed
EP-2066659-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-06-10 EP disclosed
WO-2008040492-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-04-10 WO disclosed
EP-1347990-B1 Peptides having inhibiting activity to nitric oxyde production ASTELLAS PHARMA INC (JP) 2007-10-10 EP disclosed
US-7129243-B2 Peptide compounds ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040097425-A1 Peptide compounds ASTELLAS PHARMA INC. (JP) 2004-05-20 US disclosed
EP-1347990-A2 PEPTIDE MIT INHIBIERENDER AKTIVITÄT ZUR PRODUKTION VON STICKSTOFFMONOXID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-01 EP disclosed
WO-2002055541-A2 PEPTIDES HAVING INHIBITING ACTIVITY ON THE PRODUCTION OF NITRIC OXIDE FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-18 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 (1 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-20040097425-A1 Peptide compounds VIP, NOS1, NOS3 EPHX2 3846/4885ALDH1A1 1225/4885HTT 1151/4885

“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.