SCHEMBL4708977

SCHEMBL4708977

Ic1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 7/20 0.70
PSMB5 P28074 7/20 0.70
PSMB2 P49721 6/20 0.70
HRH3 Q9Y5N1 3/20 0.68
ESR1 P03372 1/20 0.64
PDE1A P54750 1/20 0.64
PDE1B Q01064 1/20 0.64
PDE1C Q14123 1/20 0.64
ESR2 Q92731 1/20 0.64
LTA4H P09960 8/20 0.63
PTGS2 P35354 2/20 0.61
KDM4E B2RXH2 1/20 0.61

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
SCHEMBL1778223 1.00 PSMB1 (0.70) PSMB1PSMB5PSMB2HRH3ESR1
SCHEMBL4517043 0.98 PSMB1 (0.67) PSMB1PSMB5PSMB2HRH3ESR1
SCHEMBL2819407 0.91 HRH3 (0.75) HRH3PDE1APDE1BPDE1C
SCHEMBL737990 0.91 HRH3 (0.75) HRH3PDE1APDE1BPDE1C
SCHEMBL12834986 0.90 HRH3 (0.73) HRH3PDE1APDE1BPDE1C
SCHEMBL73562 0.89 HRH3 (0.72) HRH3PDE1APDE1BPDE1C
SCHEMBL16358313 0.88 HRH3 (0.71) HRH3PDE1APDE1BPDE1C
SCHEMBL3578646 0.85 HRH3 (0.90) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL17197058 0.83 DRD3 (0.52) PSMB1PSMB5PSMB2HRH3ESR1
SCHEMBL3562722 0.83 NPC1 (0.66) HRH3LTA4HKDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812417-B1 NOVEL 2H-CHROMENE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-10-29 EP disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US disclosed
EP-1812417-A1 NOVEL 2H-CHROMENE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 US disclosed
US-20060166933-A1 Novel 2H-chromene derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-27 US disclosed
WO-2006055694-A1 NOVEL 2H-CHROMENE DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-26 WO disclosed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP disclosed
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 EP disclosed
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M (US) 2004-12-23 US disclosed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US disclosed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 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-20060166933-A1 Novel 2H-chromene derivatives as selective estrogen receptor modulators ESR2, ESR1, GPER1 PSMB1 1851/4885PSMB5 1337/4885PSMB2 1156/4885
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR PSMB1 1278/4885PSMB5 833/4885PSMB2 1340/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR PSMB1 1278/4885PSMB5 833/4885PSMB2 1340/4885

“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.