SCHEMBL3416253

SCHEMBL3416253

Cc1c(-c2ccc(OCc3ccccc3)c(F)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 20/20 0.69
ESR2 Q92731 2/20 0.63
MLNR O43193 1/20 0.63
ABCB11 O95342 1/20 0.63
NR3C1 P04150 1/20 0.63
CHRM2 P08172 1/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
ADORA3 P0DMS8 1/20 0.63
CHRM1 P11229 1/20 0.63
DRD2 P14416 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
DRD1 P21728 1/20 0.63
SLC6A2 P23975 1/20 0.63
HTR2A P28223 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
PTGS2 P35354 1/20 0.63
OPRM1 P35372 1/20 0.63

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
SCHEMBL3419230 1.00 ESR1 (0.69) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4165462 0.91 ESR1 (0.79) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL637818 0.91 ESR1 (0.79) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL30103459 0.91 ESR1 (0.79) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL3420019 0.90 ESR1 (0.79) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL3416547 0.90 ESR1 (0.79) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL22692809 0.90 ESR1 (0.77) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL28751139 0.90 ESR1 (0.58) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL3419820 0.89 ESR1 (0.82) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL4163410 0.89 ESR1 (0.75) ESR1ESR2MLNRABCB11NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051179-B1 ANTI-ESTROGEN PLUS PROGESTIN CONTAINING ORAL CONTRACEPTIVES WYETH CORP (US) 2005-09-14 EP claimed
US-20040110824-A1 2-Phenyl-1-[4(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH 2004-06-10 US claimed
US-20040110823-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH 2004-06-10 US claimed
US-20030130274-A1 2-Phenyl-1-[4-(2-aminoethoxy)benzyl-indoles as estrogenic agents WYETH 2003-07-10 US claimed
US-20020061875-A1 Anti-estrogen plus progestin containing oral contraceptives AMERICAN HOME PRODUCTS CORPORATION 2002-05-23 US claimed
US-20020028805-A1 Methods of inhibiting uterotrophic effects of estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US claimed
US-20020016318-A1 Methods of treating breast disorders AMERICAN HOME PRODUCTS CORPORATION 2002-02-07 US claimed
US-6326392-B1 ADMINISTERING MIXTURE AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US claimed
US-6326367-B1 THERAPY FOR OVARIAN CANCER AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US claimed
EP-0802183-B1 Estrogenic agents AMERICAN HOME PROD (US) 2001-10-10 EP claimed
US-20010021719-A1 2-phenyl-1- [4- (2-aminoethoxy) - benzyl] - indoles as estrogenic agents WYETH 2001-09-13 US claimed
US-6232307-B1 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)-INDOLE COMPOUNDS USEFUL AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2001-05-15 US claimed
US-6225308-B1 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)-INDOLE COMPOUNDS WHICH ARE USEFUL AS ESTROGENIC AGENTS AMERICAN HOME PRODUCTS CORPORATION 2001-05-01 US claimed
EP-1051179-A2 ANTI-ESTROGEN PLUS PROGESTIN CONTAINING ORAL CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-15 EP claimed
US-6127404-A 2-PHENYL-1-(4-(2-AMINOETHOXY)-BENZYL)INDOLE COMPOUNDS USEFUL AS ESTROGEN AGONISTS/ANTAGONISTS; OSTEOPOROSIS; ANTICHOLESTEROL AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-03 US claimed
US-5998402-A OSTEOPOROSIS; CARDIOVASCULAR DISORDERS; ANTICANCER AGENTS;POSTMEMOPAUSE THERAPY AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-07 US claimed
WO-1999024027-A2 ANTI-ESTROGEN PLUS PROGESTIN CONTAINING ORAL CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-05-20 WO claimed
EP-0802183-A1 Estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-22 EP claimed
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS WYETH LLC (US) 2014-11-06 US disclosed
EP-0802183-A1 Estrogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1997-10-22 EP 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 (8 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-20010021719-A1 2-phenyl-1- [4- (2-aminoethoxy) - benzyl] - indoles as estrogenic agents ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885MLNR 874/4885
US-20140329784-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLE AND ESTROGEN FORMULATIONS ESR2, ESR1, CYP19A1 ESR1 2/4885ESR2 1/4885MLNR 1321/4885
US-20030130274-A1 2-Phenyl-1-[4-(2-aminoethoxy)benzyl-indoles as estrogenic agents ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MLNR 1976/4885
US-20040110824-A1 2-Phenyl-1-[4(2-aminoethoxy)-benzyl]-indoles as estrogenic agents ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MLNR 1970/4885
US-20020028805-A1 Methods of inhibiting uterotrophic effects of estrogenic agents LHCGR, GPER1, MTNR1A ESR1 8/4885ESR2 18/4885MLNR 31/4885
US-20040110823-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885MLNR 1947/4885
US-20020016318-A1 Methods of treating breast disorders BRCA1, PYM1, HSD3B1 ESR1 16/4885ESR2 48/4885MLNR 1310/4885
US-20020061875-A1 Anti-estrogen plus progestin containing oral contraceptives SHBG, CYP19A1, PGRMC2 ESR1 17/4885ESR2 8/4885MLNR 648/4885

“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.