SCHEMBL226948

SCHEMBL226948

Oc1ccc2c(c1)CCC(C1=COC(c3ccccc3NCCCc3ccc(CN4CCCCCC4)cc3)O1)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.38
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
LTA4H P09960 1/20 0.33
ENPP2 Q13822 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL227787 0.94 ESR1 (0.40) GRIN2BESR1ESR2SLC6A5
SCHEMBL229610 0.94 ESR1 (0.40) GRIN2BESR1ESR2SIGMAR1
SCHEMBL227909 0.90 ESR1 (0.43) ESR1ESR2CHRM1HTR2ADRD2
SCHEMBL229490 0.82 ESR1 (0.45) GRIN2BESR1ESR2SLC6A5SIGMAR1
SCHEMBL6420513 0.80 ESR1 (0.36) GRIN2BESR1ESR2DRD2DRD1
SCHEMBL226950 0.78 MCHR1 (0.39) GRIN2BESR1ESR2CHRM1HTR2A
SCHEMBL226875 0.77 ESR1 (0.49) ESR1ESR2CHRM1HTR2ADRD2
SCHEMBL228421 0.77 ESR1 (0.49) ESR1ESR2CHRM1HTR2ADRD2
SCHEMBL230001 0.77 ESR1 (0.44) GRIN2BESR1ESR2CHRM1HTR2A
SCHEMBL226329 0.77 ESR1 (0.51) GRIN2BESR1ESR2CHRM1HTR2A

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 GRIN2B 1206/4885ESR1 1/4885ESR2 3/4885
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 GRIN2B 3266/4885ESR1 34/4885ESR2 21/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 GRIN2B 1434/4885ESR1 1/4885ESR2 3/4885

“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.