SCHEMBL227704

SCHEMBL227704

COc1ccc2c(c1)CCC(c1ccc(OC)cc1NCCCc1ccccc1)C2

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.62
GRIN1 Q05586 3/20 0.62
HTR1A P08908 2/20 0.48
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
SIGMAR1 Q99720 2/20 0.45
NPY5R Q15761 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL226670 0.88 KDM1A (0.49) GRIN2BGRIN1ESR1ESR2NPY5R
SCHEMBL229309 0.88 ESR1 (0.52) GRIN2BGRIN1ESR1ESR2NPY5R
SCHEMBL229280 0.84 ESR1 (0.58) GRIN2BGRIN1ESR1ESR2NPY5R
SCHEMBL230233 0.84 ESR1 (0.55) GRIN2BGRIN1ESR1ESR2POLB
SCHEMBL4416538 0.84 DRD2 (0.44) GRIN2BGRIN1ESR1ESR2
SCHEMBL229547 0.83 ESR1 (0.47) GRIN2BGRIN1ESR1ESR2
SCHEMBL224509 0.83 DRD2 (0.50) GRIN2BGRIN1ESR1ESR2
SCHEMBL228792 0.83 GRIN2B (0.58) GRIN2BGRIN1ESR1ESR2SIGMAR1
SCHEMBL224187 0.82 KDM1A (0.49) GRIN2BGRIN1ESR1ESR2NPY5R
SCHEMBL227004 0.82 ESR1 (0.56) GRIN2BGRIN1ESR1ESR2POLB

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 GRIN2B 1206/4885GRIN1 421/4885HTR1A 716/4885
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 GRIN2B 3266/4885GRIN1 1602/4885HTR1A 3294/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 GRIN2B 1434/4885GRIN1 659/4885HTR1A 796/4885

“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.