SCHEMBL227984

SCHEMBL227984

CCN(Cc1ccc(OCCN2CCCCCC2)cc1)c1ccccc1C1Cc2ccc(OC)cc2OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.52
ESR2 Q92731 4/20 0.52
DRD1 P21728 2/20 0.52
DRD3 P35462 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
PGR P06401 1/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
HTT P42858 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL229422 0.94 ESR1 (0.51) ESR1ESR2DRD1DRD3HRH3
SCHEMBL227825 0.92 ESR1 (0.48) ESR1ESR2DRD1DRD3HRH3
SCHEMBL225115 0.86 LTA4H (0.43) ESR1ESR2DRD1DRD3HRH3
SCHEMBL226176 0.85 ESR1 (0.47) ESR1ESR2DRD1DRD3HRH3
SCHEMBL226541 0.82 ESR1 (0.54) ESR1ESR2DRD1DRD3HRH3
SCHEMBL227986 0.81 ESR1 (0.51) ESR1ESR2DRD1DRD3HRH3
SCHEMBL227985 0.80 HRH3 (0.52) ESR1ESR2DRD1DRD3HRH3
SCHEMBL228127 0.80 ESR1 (0.51) ESR1ESR2DRD1DRD3HRH3
SCHEMBL229529 0.80 ESR1 (0.51) ESR1ESR2DRD1DRD3HRH3
SCHEMBL224284 0.80 LTA4H (0.44) ESR1ESR2DRD1DRD3HRH3

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 3/4885DRD1 1897/4885
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 21/4885DRD1 2262/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885DRD1 1838/4885

“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.