SCHEMBL226285

SCHEMBL226285

CCN(CCc1ccc(OCCN2CCCCC2)c(F)c1)c1ccccc1C1CCc2cc(OC)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
BACE1 P56817 1/20 0.39
SIGMAR1 Q99720 3/20 0.37
HTR2C P28335 2/20 0.36
HRH3 Q9Y5N1 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ABCB1 P08183 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
SCHEMBL226299 0.93 ESR1 (0.45) LTA4HESR1ESR2BACE1SIGMAR1
SCHEMBL225140 0.91 LTA4H (0.42) LTA4HESR1ESR2BACE1HTR2C
SCHEMBL229487 0.91 ESR1 (0.46) LTA4HESR1ESR2BACE1SIGMAR1
SCHEMBL229053 0.91 ESR1 (0.46) LTA4HESR1ESR2BACE1SIGMAR1
SCHEMBL229552 0.90 ESR1 (0.46) LTA4HESR1ESR2BACE1SIGMAR1
SCHEMBL226007 0.87 ESR1 (0.51) LTA4HESR1ESR2BACE1HTR2C
SCHEMBL228854 0.85 ESR1 (0.48) LTA4HESR1ESR2HTR2CHRH3
SCHEMBL229481 0.85 ESR1 (0.43) LTA4HESR1ESR2BACE1HTR2C
SCHEMBL226156 0.85 ESR1 (0.46) LTA4HESR1ESR2HTR2CHRH3
SCHEMBL228127 0.84 ESR1 (0.51) LTA4HESR1ESR2BACE1SIGMAR1

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 6 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-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-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 (2 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-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 LTA4H 3104/4885ESR1 34/4885ESR2 21/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 LTA4H 2984/4885ESR1 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.