SCHEMBL1985115

SCHEMBL1985115

[CH2]c1ccc(OCCN(CC)CC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.62
SIGMAR1 Q99720 3/20 0.62
CYP2D6 P10635 2/20 0.60
CYP1A2 P05177 1/20 0.60
LTA4H P09960 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
MCHR1 Q99705 1/20 0.55
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
CHRNA7 P36544 1/20 0.54
HRH3 Q9Y5N1 1/20 0.53
IDH1 O75874 1/20 0.51
KCNH2 Q12809 1/20 0.51
EGFR P00533 1/20 0.51
ESR1 P03372 1/20 0.51
ERBB2 P04626 1/20 0.51
FYN P06241 1/20 0.51
CHRM2 P08172 1/20 0.51

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
SCHEMBL9706125 0.90 EBP (0.72) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL15876427 0.85 CYP1A2 (0.66) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL3420518 0.82 EBP (0.64) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL10358944 0.81 EBP (0.62) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL15976806 0.81 EBP (0.62) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL2246183 0.81 EBP (0.62) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL1129242 0.81 EBP (0.62) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL374223 0.81 EBP (0.62) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL4693255 0.81 ESR1 (0.70) EBPSIGMAR1CYP2D6CYP1A2LTA4H
SCHEMBL8432273 0.81 CYP1A2 (0.70) EBPSIGMAR1CYP2D6CYP1A2LTA4H

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142499-B1 Substituted sulphonamides, process for their preparation, pharmaceutical composition comprising thereof and their use for treating glaucoma UNIMED PHARMA SPOL SRO (SK) 2014-12-10 EP claimed
US-8193184-B2 Substituted sulphonamides, process for their preparation, pharmaceutical composition comprising thereof and their use Unimed Pharma, SPOL, S.R.O. (SK) 2012-06-05 US claimed
EP-1907394-B1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-29 EP claimed
US-20100204239-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS SUI ZHIHUA 2010-08-12 US claimed
US-20100125076-A1 SUBSTITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE UNIMED PHARMA, SPOL. S R.O. (SK) 2010-05-20 US claimed
EP-2142499-A1 SUBSITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE Unimed Pharma, Spol. S R.O. (SK) 2010-01-13 EP claimed
WO-2008130332-A1 SUBSITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE UNIMED PHARMA, SPOL. S R.O. (SK) 2008-10-30 WO claimed
EP-1907394-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-09 EP claimed
US-7338973-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-04 US claimed
EP-1796664-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP claimed
US-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006047017-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-04 WO claimed
WO-2006034090-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 WO claimed
US-9303037-B2 Tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-04-05 US disclosed
EP-2142499-B1 Substituted sulphonamides, process for their preparation, pharmaceutical composition comprising thereof and their use for treating glaucoma UNIMED PHARMA SPOL SRO (SK) 2014-12-10 EP disclosed
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US disclosed
WO-2000059528-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-10-12 WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 US 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-20060116415-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG EBP 334/4885SIGMAR1 235/4885CYP2D6 340/4885
US-20100125076-A1 SUBSTITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE ARSA, SMS, SULT1E1 EBP 1077/4885SIGMAR1 128/4885CYP2D6 174/4885
US-20100204239-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG EBP 334/4885SIGMAR1 235/4885CYP2D6 340/4885
US-20060116513-A1 Novel tetracyclic heteroatom containing derivatives useful as sex steroid hormone receptor modulators NR5A1, ESRRA, SHBG EBP 334/4885SIGMAR1 235/4885CYP2D6 340/4885
US-20140066479-A1 NOVEL TETRACYCLIC HETEROATOM CONTAINING DERIVATIVES USEFUL AS SEX STEROID HORMONE RECEPTOR MODULATORS NR5A1, ESRRA, SHBG EBP 334/4885SIGMAR1 235/4885CYP2D6 340/4885

“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.