SCHEMBL228629

SCHEMBL228629

CCN(CC)CCOc1ccc(CCCNc2ccccc2[C@@H]2CCc3cc(O)ccc3C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.49
ESR2 Q92731 7/20 0.49
GRIN2B Q13224 3/20 0.41
MIF P14174 1/20 0.39
GRIN1 Q05586 1/20 0.37
CYP1A2 P05177 1/20 0.37
LTA4H P09960 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
ESRRG P62508 1/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
DRD4 P21917 1/20 0.36
CYP26A1 O43174 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
SCHEMBL224743 0.94 ESR1 (0.52) ESR1ESR2GRIN2BMIFDRD2
SCHEMBL226955 0.92 ESR1 (0.46) ESR1ESR2GRIN2BGRIN1ESRRG
SCHEMBL229685 0.91 ESR1 (0.56) ESR1ESR2GRIN2BMIFGRIN1
SCHEMBL229688 0.91 ESR1 (0.56) ESR1ESR2GRIN2BMIFGRIN1
SCHEMBL228254 0.91 ESR1 (0.56) ESR1ESR2GRIN2BMIFGRIN1
SCHEMBL229837 0.91 ESR1 (0.47) ESR1ESR2GRIN2BGRIN1CYP2D6
SCHEMBL228188 0.89 ESR1 (0.55) ESR1ESR2GRIN2BMIFGRIN1
SCHEMBL229683 0.88 ESR1 (0.51) ESR1ESR2GRIN2BMIFGRIN1
SCHEMBL228519 0.88 ESR1 (0.51) ESR1ESR2GRIN2BMIFGRIN1
SCHEMBL229211 0.87 ESR1 (0.58) ESR1ESR2MIFDRD2DRD3

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 3/4885GRIN2B 1206/4885
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 21/4885GRIN2B 3266/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885GRIN2B 1434/4885

“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.