SCHEMBL223933

SCHEMBL223933

COc1ccc2c(c1)CCC(c1ccc(OC)cc1Nc1ccc(OCCN(C(C)C)C(C)C)c(F)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.40
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MAPK14 Q16539 7/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ACHE P22303 2/20 0.34

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
SCHEMBL227673 0.88 MCHR1 (0.42) MCHR1ESR1ESR2CA1CA2
SCHEMBL227513 0.87 ESR1 (0.37) MCHR1DRD2DRD3ESR1ESR2
SCHEMBL226028 0.85 ESR1 (0.38) MCHR1DRD2DRD3ESR1ESR2
SCHEMBL226027 0.85 ESR1 (0.39) DRD2DRD3ESR1ESR2
SCHEMBL227855 0.84 KDR (0.40) MCHR1MAPK14ESR1ESR2
SCHEMBL228597 0.84 KDR (0.40) MCHR1MAPK14ESR1ESR2
SCHEMBL228631 0.82 DRD2 (0.40) MCHR1DRD2DRD3ESR1ESR2
SCHEMBL226026 0.79 ESR1 (0.53) MCHR1DRD2DRD3ESR1ESR2
SCHEMBL225969 0.78 ESR1 (0.40) DRD2DRD3ESR1ESR2CA1
SCHEMBL225105 0.75 ESR1 (0.40) MCHR1DRD2DRD3ESR1ESR2

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 MCHR1 781/4885DRD2 2301/4885DRD3 1675/4885
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 MCHR1 1267/4885DRD2 2692/4885DRD3 1808/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MCHR1 814/4885DRD2 1993/4885DRD3 1503/4885

“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.