SCHEMBL228220

SCHEMBL228220

COc1ccc2c(c1)CCC(c1ccc(C(F)(F)F)cc1NCc1ccc(OCCN3CCCCC3)c(F)c1)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.40
LTA4H P09960 3/20 0.38
CACNA1H O95180 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
RPS6KB1 P23443 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL227567 0.94 LTA4H (0.42) CACNA1BLTA4HESR1ESR2HRH3
SCHEMBL1999767 0.91 LTA4H (0.40) CACNA1BLTA4HESR1ESR2HRH3
SCHEMBL226369 0.89 LTA4H (0.44) CACNA1BLTA4HESR1ESR2SIGMAR1
SCHEMBL15888973 0.88 ESR1 (0.42) LTA4HESR1ESR2HRH3HTR2A
SCHEMBL226472 0.88 LTA4H (0.36) LTA4HESR1ESR2HRH3HTR2A
SCHEMBL1999847 0.87 LTA4H (0.40) CACNA1BLTA4HHRH3HTR2AHTR2C
SCHEMBL225145 0.86 LTA4H (0.41) LTA4HESR1ESR2HRH3HTR2C
SCHEMBL225927 0.84 LTA4H (0.38) CACNA1BLTA4HESR1ESR2HRH3
SCHEMBL229632 0.84 LTA4H (0.41) CACNA1BLTA4HESR1ESR2HRH3
SCHEMBL225560 0.84 ESR1 (0.46) LTA4HESR1ESR2SIGMAR1HRH3

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 CACNA1B 2849/4885LTA4H 3180/4885CACNA1H 2562/4885
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 CACNA1B 3443/4885LTA4H 3104/4885CACNA1H 2841/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CACNA1B 3040/4885LTA4H 2984/4885CACNA1H 2796/4885

“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.