SCHEMBL228314

SCHEMBL228314

CN1C(C)(C)CC(NC(=O)CCl)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
MAOB P27338 2/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
JAK2 O60674 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11046524 0.87 MAOB (0.39) HDAC4HDAC6FLT3TYRO3MERTK
SCHEMBL2302250 0.86 MAOB (0.48) GAAKDM4EKMT2AMAOBMTNR1A
SCHEMBL2302254 0.86 GAA (0.50) GAAKDM4EKMT2AMAOBMTNR1A
SCHEMBL8771887 0.84 MAOB (0.37) HDAC4HDAC6FLT3TYRO3MERTK
SCHEMBL4448627 0.82 MAOB (0.36) HDAC4HDAC6FLT3TYRO3MERTK
SCHEMBL26082900 0.82 MAOB (0.36) HDAC4HDAC6FLT3TYRO3MERTK
SCHEMBL10156196 0.81 GAA (0.39) HDAC4HDAC6FLT3TYRO3MERTK
SCHEMBL20313800 0.81 MTNR1A (0.36) GAAKDM4EKMT2AMAOBMTNR1A
SCHEMBL13298035 0.81 SMN1; SMN2 (0.47) HDAC6FLT3TYRO3MERTKGAS6
SCHEMBL25332801 0.79 MTNR1A (0.39) GAAKDM4EKMT2AMTNR1AMTNR1B

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 18 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
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-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-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-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 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-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
US-4317911-A LIGHT STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1982-03-02 US disclosed
US-4238613-A IMPARTING PHOTOSTABILITY AND OXIDATION AND HEAT RESISTANCE TO PLASTICS CIBA-GEIGY CORPORATION (US) 1980-12-09 US 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 HDAC4 361/4885HDAC6 1847/4885FLT3 3834/4885
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 HDAC4 516/4885HDAC6 2048/4885FLT3 3981/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HDAC4 566/4885HDAC6 2189/4885FLT3 3380/4885

“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.