SCHEMBL228891

SCHEMBL228891

COc1ccc2c(c1)CCC(c1ccc(OC)cc1N(Cc1ccc(OCCN3CCCCC3)c(F)c1)C(C)=O)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
LTA4H P09960 2/20 0.39
MCHR1 Q99705 1/20 0.38
HTR2C P28335 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL227845 0.90 ESR1 (0.45) DRD2DRD3ESR1ESR2LTA4H
SCHEMBL229294 0.90 KDR (0.40) DRD2DRD3ESR1ESR2LTA4H
SCHEMBL226007 0.88 ESR1 (0.51) ESR1ESR2LTA4HHTR2CHRH3
SCHEMBL227563 0.88 LTA4H (0.40) ESR1ESR2LTA4HHTR2CHRH3
SCHEMBL224661 0.86 ESR1 (0.43) ESR1ESR2LTA4HMCHR1HTR2C
SCHEMBL227593 0.86 ESR1 (0.45) DRD2DRD3ESR1ESR2LTA4H
SCHEMBL227089 0.86 ESR1 (0.43) DRD2ESR1ESR2LTA4HHTR2C
SCHEMBL228343 0.86 ESR1 (0.48) DRD2DRD3ESR1ESR2LTA4H
SCHEMBL228691 0.86 ESR1 (0.48) DRD2DRD3ESR1ESR2LTA4H
SCHEMBL229774 0.86 ESR1 (0.48) DRD2DRD3ESR1ESR2LTA4H

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 DRD2 2301/4885DRD3 1675/4885ESR1 1/4885
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 DRD2 2692/4885DRD3 1808/4885ESR1 34/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 DRD2 1993/4885DRD3 1503/4885ESR1 1/4885

“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.