SCHEMBL5117118

SCHEMBL5117118

Brc1ccc(OCCN2CCCCC2)cc1.[MgH2]

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.84
PTGS2 P35354 1/20 0.84
ATM Q13315 1/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
PSMB1 P20618 7/20 0.68
PSMB5 P28074 7/20 0.68
PSMB2 P49721 6/20 0.68
HRH3 Q9Y5N1 3/20 0.66
KDM4E B2RXH2 1/20 0.62

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
SCHEMBL5139685 1.00 LTA4H (0.84) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL227976 0.98 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL5116881 0.98 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL227425 0.98 LTA4H (0.87) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL229697 0.96 LTA4H (0.90) LTA4HPTGS2ATML3MBTL1PSMB1
SCHEMBL27711502 0.92 ATM (0.88) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL491581 0.90 ATM (0.90) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL1776837 0.90 ATM (0.90) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL5856455 0.88 ATM (0.88) LTA4HPTGS2ATML3MBTL1HRH3
SCHEMBL18824776 0.88 ATM (0.87) LTA4HPTGS2ATML3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 US 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 (2 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-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR LTA4H 1473/4885PTGS2 437/4885ATM 4284/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR LTA4H 1473/4885PTGS2 437/4885ATM 4284/4885

“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.