SCHEMBL228236

SCHEMBL228236

COc1ccc2c(c1)CCC(Cc1ccccc1NCc1ccc(OCCN3CCCCC3)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.48
SIGMAR1 Q99720 3/20 0.47
LTA4H P09960 5/20 0.47
CYP26A1 O43174 1/20 0.46
CACNA1B Q00975 3/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
CYP19A1 P11511 1/20 0.43
HTR1A P08908 1/20 0.43
EBP Q15125 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
SCHEMBL228740 0.93 CYP26A1 (0.47) BACE1SIGMAR1LTA4HCYP26A1ESR1
SCHEMBL230082 0.90 ESR1 (0.51) BACE1LTA4HCACNA1BESR1ESR2
SCHEMBL4426650 0.84 HRH3 (0.50) BACE1SIGMAR1LTA4HCACNA1BESR1
SCHEMBL224837 0.84 SIGMAR1 (0.56) SIGMAR1CYP26A1CYP19A1HTR1A
SCHEMBL225134 0.83 ESR1 (0.49) BACE1LTA4HESR1ESR2HRH3
SCHEMBL229710 0.83 HRH3 (0.49) SIGMAR1LTA4HCACNA1BESR1ESR2
SCHEMBL230323 0.82 BACE1 (0.46) BACE1SIGMAR1LTA4HCYP26A1ESR1
SCHEMBL226148 0.81 LTA4H (0.48) LTA4HESR1ESR2HRH3
SCHEMBL227713 0.81 LTA4H (0.48) LTA4HESR1ESR2HRH3
SCHEMBL227793 0.81 LTA4H (0.46) SIGMAR1LTA4HCACNA1BESR1ESR2

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 BACE1 2935/4885SIGMAR1 778/4885LTA4H 3180/4885
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 BACE1 1518/4885SIGMAR1 2885/4885LTA4H 3104/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 BACE1 2668/4885SIGMAR1 743/4885LTA4H 2984/4885

“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.