SCHEMBL228485

SCHEMBL228485

CC(Cc1ccc(CCN(C)C)cc1)Nc1ccccc1C1CCc2cc(O)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
DRD2 P14416 9/20 0.40
DRD3 P35462 9/20 0.40
DRD4 P21917 6/20 0.40
GRIN2B Q13224 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
ACHE P22303 2/20 0.36
SIGMAR1 Q99720 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRL1 P41146 2/20 0.33
HTR1A P08908 1/20 0.33
MEN1 O00255 1/20 0.33
ADRB2 P07550 1/20 0.33
CYP2D6 P10635 1/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL229838 0.91 ESR1 (0.44) ESR1ESR2DRD2DRD3DRD4
SCHEMBL226956 0.89 ESR1 (0.41) ESR1ESR2
SCHEMBL224908 0.87 ESR1 (0.54) ESR1ESR2DRD2DRD3DRD4
SCHEMBL227162 0.86 ESR1 (0.45) ESR1ESR2DRD2DRD3DRD4
SCHEMBL225834 0.86 ESR1 (0.39) ESR1ESR2DRD2DRD3DRD4
SCHEMBL229491 0.84 ESR1 (0.38) ESR1ESR2DRD2DRD3GRIN2B
SCHEMBL228484 0.83 GRIN2B (0.47) ESR1ESR2DRD2DRD3DRD4
SCHEMBL224446 0.83 DRD2 (0.39) ESR1ESR2DRD2DRD3
SCHEMBL228793 0.83 GRIN2B (0.42) ESR1ESR2DRD2DRD3DRD4
SCHEMBL228630 0.82 ESR1 (0.43) ESR1ESR2CYP2D6

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 8 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-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885DRD2 2301/4885
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 ESR1 34/4885ESR2 21/4885DRD2 2692/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885DRD2 1993/4885

“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.