SCHEMBL5115917

SCHEMBL5115917

CCN(CC)CCOc1ccc(Br)cc1.[MgH2]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.60
SIGMAR1 Q99720 3/20 0.60
CYP2D6 P10635 2/20 0.58
HTT P42858 2/20 0.58
CYP1A2 P05177 1/20 0.58
LTA4H P09960 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MCHR1 Q99705 1/20 0.54
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
CHRNA7 P36544 1/20 0.53
HRH3 Q9Y5N1 2/20 0.51
KCNH2 Q12809 2/20 0.50
ESR1 P03372 2/20 0.50
CHRM2 P08172 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
CHRM1 P11229 2/20 0.50
PTGS1 P23219 2/20 0.50

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
SCHEMBL1129242 0.98 EBP (0.62) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL21674328 0.89 EBP (0.53) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL10894213 0.89 KDM4E (0.58) EBPSIGMAR1HRH3KDM4E
SCHEMBL11874283 0.89 EBP (0.53) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL9706125 0.88 EBP (0.72) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL3420518 0.81 EBP (0.64) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL9773251 0.81 HRH3 (0.61) LTA4HHRH3KDM4E
SCHEMBL4693255 0.79 ESR1 (0.70) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL374223 0.79 EBP (0.62) EBPSIGMAR1CYP2D6HTTCYP1A2
SCHEMBL1985115 0.79 EBP (0.62) EBPSIGMAR1CYP2D6HTTCYP1A2

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 EBP 696/4885SIGMAR1 466/4885CYP2D6 593/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR EBP 696/4885SIGMAR1 466/4885CYP2D6 593/4885

“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.