SCHEMBL229530

SCHEMBL229530

COc1ccc2c(c1)CCC(c1ccccc1NCCCc1ccc(OCCN3CCCCCC3)cc1)C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.47
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
LTA4H P09960 3/20 0.44
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
BACE1 P56817 1/20 0.42
MAOB P27338 2/20 0.41

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
SCHEMBL226485 0.94 LTA4H (0.46) HRH3GRIN1GRIN2BLTA4HESR1
SCHEMBL226875 0.91 ESR1 (0.49) HRH3ESR1ESR2
SCHEMBL228421 0.91 ESR1 (0.49) HRH3ESR1ESR2
SCHEMBL4426650 0.90 HRH3 (0.50) HRH3LTA4HESR1ESR2EBP
SCHEMBL4415528 0.89 LTA4H (0.46) HRH3LTA4HESR1ESR2MAOB
SCHEMBL224148 0.89 LTA4H (0.46) HRH3LTA4HESR1ESR2MAOB
SCHEMBL228508 0.89 ESR1 (0.47) HRH3ESR1ESR2
SCHEMBL228411 0.88 LTA4H (0.44) HRH3GRIN1GRIN2BLTA4HESR1
SCHEMBL224552 0.88 ESR1 (0.49) HRH3LTA4HESR1ESR2
SCHEMBL226208 0.88 ESR1 (0.49) HRH3LTA4HESR1ESR2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH3 561/4885GRIN1 421/4885GRIN2B 1206/4885
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 HRH3 114/4885GRIN1 1602/4885GRIN2B 3266/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885GRIN1 659/4885GRIN2B 1434/4885

“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.