SCHEMBL225619

SCHEMBL225619

CCOC(=O)c1ccc(OCCN2CCCCCC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
HRH3 Q9Y5N1 6/20 0.58
KCNH2 Q12809 1/20 0.58
PSMB1 P20618 5/20 0.53
PSMB5 P28074 5/20 0.53
PSMB2 P49721 4/20 0.53
DRD3 P35462 1/20 0.52
CACNA1F O60840 3/20 0.50
BCHE P06276 3/20 0.50
CACNA1D Q01668 3/20 0.50
CACNA1S Q13698 3/20 0.50
CACNA1C Q13936 3/20 0.50
HRH4 Q9H3N8 1/20 0.50
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2741686 0.83 PSMB1 (0.59) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL223800 0.82 KCNH2 (0.81) KDM4EHRH3KCNH2PSMB1PSMB5
SCHEMBL228881 0.82 KCNH2 (0.81) KDM4EHRH3KCNH2PSMB1PSMB5
SCHEMBL30969265 0.82 PSMB1 (0.58) KDM4EHRH3KCNH2PSMB1PSMB5
SCHEMBL226984 0.81 PSMB1 (0.57) KDM4EHRH3KCNH2PSMB1PSMB5
Hydrochloric Acid SCHEMBL8404070 0.81 KCNH2 (0.80) KDM4EHRH3KCNH2PSMB1PSMB5
SCHEMBL21408538 0.81 HRH3 (0.79) KDM4EHRH3KCNH2PSMB1PSMB5
SCHEMBL9901416 0.78 CYP1A2 (0.51) KDM4EALDH1A1
SCHEMBL749735 0.78 CYP1A2 (0.45) KDM4EALDH1A1
SCHEMBL7536311 0.77 CYP1A2 (0.54) KDM4EHRH3KCNH2CACNA1FCACNA1D

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 KDM4E 708/4885HRH3 561/4885KCNH2 1700/4885
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 KDM4E 577/4885HRH3 114/4885KCNH2 1014/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 KDM4E 718/4885HRH3 583/4885KCNH2 1642/4885

“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.