SCHEMBL228997

SCHEMBL228997

CN(C)C(C)(C)COc1ccc(C#N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
SSTR4 P31391 2/20 0.36
ICMT O60725 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NCEH1 Q6PIU2 2/20 0.35
GPR119 Q8TDV5 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
SCHEMBL27112675 0.86 AR (0.48) ARCYP11B1CYP11B2HRH3PTGDR2
SCHEMBL225575 0.84 AR (0.47) ARCYP11B1CYP11B2PTGDR2NR3C1
SCHEMBL227612 0.82 AR (0.47) ARCYP11B1CYP11B2PTGDR2SLC6A9
SCHEMBL9677946 0.81 SLC6A9 (0.46) ARCYP11B1CYP11B2HRH3PTGDR2
SCHEMBL4727931 0.78 TRPV4 (0.53) ARSLC6A9TRPV4ICMTUSP30
SCHEMBL15292538 0.78 AR (0.42) ARCYP11B1CYP11B2HRH3PTGDR2
SCHEMBL4420461 0.76 SSTR4 (0.53) ARCYP11B1CYP11B2PTGDR2SLC6A9
SCHEMBL227191 0.76 ALDH1A1 (0.45) ARHRH3
SCHEMBL9969445 0.75 SLC6A9 (0.47) ARCYP11B1HRH3PTGDR2SLC6A9
SCHEMBL5317004 0.74 USP30 (0.40) ARCYP11B1CYP11B2HRH3PTGDR2

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 AR 10/4885CYP11B1 195/4885CYP11B2 363/4885
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 AR 22/4885CYP11B1 958/4885CYP11B2 1251/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 AR 9/4885CYP11B1 214/4885CYP11B2 378/4885

“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.