SCHEMBL227666

SCHEMBL227666

COc1ccc2c(c1)CCC(c1ccc(OC)cc1N1Cc3ccc(OCCN(C(C)C)C(C)C)cc3C1)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
SLC6A4 P31645 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
DRD4 P21917 3/20 0.36
PPARD Q03181 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CYP26A1 O43174 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL228158 0.89 ESR1 (0.39) HRH3ESR1ESR2CYP26A1
SCHEMBL4417105 0.87 DRD2 (0.41) DRD2DRD3DRD4PPARDDRD1
SCHEMBL6420495 0.83 HRH3 (0.48) SLC6A4HRH3ESR1ESR2
SCHEMBL6421841 0.83 HRH3 (0.48) SLC6A4HRH3ESR1ESR2
SCHEMBL225651 0.80 CYP26A1 (0.47) DRD2DRD3DRD4DRD1DRD5
SCHEMBL228832 0.79 DRD2 (0.44) DRD2DRD3DRD4ESR1ESR2
SCHEMBL225969 0.77 ESR1 (0.40) DRD2DRD3DRD4ESR1ESR2
SCHEMBL229597 0.75 ESR1 (0.41) DRD2DRD3DRD4ESR1ESR2
SCHEMBL229598 0.74 ESR1 (0.49) DRD2DRD3ESR1ESR2CYP26A1
SCHEMBL227998 0.74 ESR1 (0.46) DRD2DRD3ESR1ESR2CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (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-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 DRD2 2692/4885DRD3 1808/4885SLC6A4 4558/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 DRD2 1993/4885DRD3 1503/4885SLC6A4 3550/4885

“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.