SCHEMBL227945

SCHEMBL227945

COc1ccc(-c2cc3ccc(OC)cc3n2C)c(Nc2ccc(OCCN3CCCCC3)c(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
AXL P30530 1/20 0.42
KDR P35968 3/20 0.41
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
MAPK14 Q16539 1/20 0.41
HTR2B P41595 1/20 0.41
GALR2 O43603 2/20 0.40
GALR1 P47211 1/20 0.40
EGFR P00533 2/20 0.40
MCHR1 Q99705 2/20 0.40
PTPN1 P18031 1/20 0.39
ESR1 P03372 2/20 0.39
ESR2 Q92731 1/20 0.39
LTA4H P09960 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL224634 0.87 KDR (0.47) HTR2AHTR2CAXLKDRSRC
SCHEMBL228498 0.87 LTA4H (0.43) HTR2AHTR2CHTR2BPTPN1ESR1
SCHEMBL225734 0.86 ESR1 (0.47) HTR2AHTR2CAXLKDRLCK
SCHEMBL223895 0.84 MCHR1 (0.46) AXLKDRLCKSRCMAPK14
SCHEMBL228154 0.82 PDE3B (0.42) HTR2AHTR2CAXLKDRLCK
SCHEMBL227847 0.82 ESR1 (0.46) HTR2AHTR2CAXLKDRLCK
SCHEMBL228240 0.81 AXL (0.41) HTR2AHTR2CAXLKDRLCK
SCHEMBL225746 0.79 MCHR1 (0.47) HTR2AHTR2CAXLKDRLCK
SCHEMBL227849 0.79 ESR1 (0.46) HTR2AHTR2CAXLKDRLCK
SCHEMBL225139 0.77 AXL (0.46) HTR2AHTR2CAXLKDRLCK

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 HTR2A 1494/4885HTR2C 1272/4885AXL 2584/4885
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 HTR2A 4425/4885HTR2C 4067/4885AXL 4389/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HTR2A 1377/4885HTR2C 1073/4885AXL 2159/4885

“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.