SCHEMBL229999

SCHEMBL229999

O=C(O)c1ccc(CCN2CCCCCC2)cn1.[LiH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.55
L3MBTL1 Q9Y468 4/20 0.52
CYP1A2 P05177 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 2/20 0.52
KMT2A Q03164 2/20 0.52
HIF1A Q16665 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
CYP2D6 P10635 1/20 0.49

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
Hydrochloric Acid SCHEMBL229628 0.84 CYP1A2 (0.48) L3MBTL1CYP1A2TDP1CYP3A4CYP2D6
Lithium Ion SCHEMBL229998 0.84 CYP1A2 (0.48) P4HTML3MBTL1CYP1A2TDP1CYP3A4
SCHEMBL2741686 0.76 PSMB1 (0.59) TDP1KDM4EALDH1A1HRH3HTT
SCHEMBL2741683 0.75 HRH3 (0.62) L3MBTL1CYP1A2TDP1CYP3A4KMT2A
SCHEMBL7031548 0.75 HRH3 (0.62) L3MBTL1CYP1A2TDP1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL223935 0.74 HRH3 (0.61) L3MBTL1CYP1A2TDP1CYP3A4KMT2A
SCHEMBL227159 0.74 HRH3 (0.56) L3MBTL1CYP1A2TDP1CYP3A4CYP2D6
SCHEMBL7772142 0.73 SLC6A3 (0.61) L3MBTL1CYP1A2TDP1CYP3A4KMT2A
SCHEMBL28108319 0.73 P4HTM (0.71) P4HTML3MBTL1CYP1A2TDP1CYP3A4
SCHEMBL11047112 0.72 P4HTM (0.56) P4HTML3MBTL1CYP1A2TDP1CYP3A4

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 P4HTM 1697/4885L3MBTL1 3581/4885CYP1A2 1193/4885
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 P4HTM 2691/4885L3MBTL1 422/4885CYP1A2 3203/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 P4HTM 1596/4885L3MBTL1 3847/4885CYP1A2 992/4885

“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.