SCHEMBL227258

SCHEMBL227258

COc1ccc(C2CCc3cc(OC(=O)C(C)(C)C)ccc3C2)c(C(C)NC(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
JAK3 P52333 4/20 0.39
JAK2 O60674 2/20 0.39
PTK2 Q05397 2/20 0.39
STS P08842 2/20 0.38
LCK P06239 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKG1 Q13976 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
FAAH O00519 1/20 0.36
EPHX2 P34913 1/20 0.35
BTK Q06187 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MMP1 P03956 3/20 0.35
MMP3 P08254 3/20 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
SCHEMBL226131 0.92 NAMPT (0.39) NAMPTJAK3JAK2PTK2STS
SCHEMBL229018 0.85 CYP1A2 (0.36) ROCK2
SCHEMBL227257 0.84 MAPT (0.44) NAMPTJAK3JAK2PTK2STS
SCHEMBL227259 0.84 MAPT (0.44) NAMPTJAK3JAK2PTK2STS
SCHEMBL223959 0.81 GPR119 (0.39) STSALDH1A1GPR119EPHX2LMNA
SCHEMBL227706 0.81 GPR119 (0.43) NAMPTJAK3JAK2PTK2STS
SCHEMBL227256 0.81 GPR119 (0.43) NAMPTJAK3JAK2PTK2STS
SCHEMBL226130 0.80 MAPT (0.43) NAMPTSTSGPR119NPC1RAB9A
SCHEMBL226132 0.80 MAPT (0.43) NAMPTSTSGPR119NPC1RAB9A
SCHEMBL15876484 0.77 TRPV1 (0.42) NAMPTMAPTSMN1; SMN2

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 NAMPT 4809/4885JAK3 3755/4885JAK2 1435/4885
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 NAMPT 4838/4885JAK3 3292/4885JAK2 1428/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 NAMPT 4837/4885JAK3 3687/4885JAK2 1164/4885

“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.