SCHEMBL229369

SCHEMBL229369

COc1ccc2c(c1)CCC(c1ccc(OC)cc1C(N)Cc1ccc(CCCN3CCCCC3)c(F)c1)C2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MAOB P27338 1/20 0.36
MCHR1 Q99705 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
SCHEMBL227881 0.83 HRH3 (0.39) SLC6A2SLC6A4SLC6A3HRH3SIGMAR1
SCHEMBL229370 0.83 HRH3 (0.39) SLC6A2SLC6A4SLC6A3HRH3SIGMAR1
SCHEMBL228970 0.81 LTA4H (0.40) HRH3
SCHEMBL228174 0.81 ESR1 (0.54) SLC6A2SLC6A4SLC6A3HRH3SIGMAR1
SCHEMBL227585 0.80 LTA4H (0.39) SLC6A4HRH3
SCHEMBL226855 0.79 LTA4H (0.45) SLC6A4HRH3MAOB
SCHEMBL228287 0.79 MCHR1 (0.42) SLC6A2SLC6A4SLC6A3HRH3SIGMAR1
SCHEMBL227595 0.78 LTA4H (0.39) HRH3
SCHEMBL225172 0.75 GRIN1 (0.34) HRH3SIGMAR1MAOB
SCHEMBL227594 0.74 LTA4H (0.39) HRH3MAOB

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 SLC6A2 4268/4885SLC6A4 3762/4885SLC6A3 3831/4885
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 SLC6A2 4380/4885SLC6A4 4558/4885SLC6A3 4548/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 SLC6A2 4107/4885SLC6A4 3550/4885SLC6A3 3696/4885

“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.