SCHEMBL2741683

SCHEMBL2741683

O=C(O)c1ccc(CCN2CCCCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.62
SIGMAR1 Q99720 2/20 0.62
SLC6A3 Q01959 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
MBTD1 Q05BQ5 1/20 0.58
L3MBTL3 Q96JM7 1/20 0.58
EBP Q15125 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
DHCR7 Q9UBM7 1/20 0.50
MEN1 O00255 1/20 0.50
KCNH2 Q12809 1/20 0.50
HTR2A P28223 1/20 0.49
HTR2C P28335 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
SCHEMBL7031548 1.00 HRH3 (0.62) HRH3SIGMAR1SLC6A3L3MBTL1MBTD1
Hydrochloric Acid SCHEMBL223935 0.98 HRH3 (0.61) HRH3SIGMAR1SLC6A3L3MBTL1MBTD1
SCHEMBL7772142 0.98 SLC6A3 (0.61) HRH3SIGMAR1SLC6A3L3MBTL1MBTD1
Hydrochloric Acid SCHEMBL7447525 0.97 SLC6A3 (0.59) HRH3SIGMAR1SLC6A3L3MBTL1MBTD1
SCHEMBL2741684 0.90 LTA4H (0.59) HRH3SIGMAR1ALDH1A1KCNH2
SCHEMBL22386773 0.90 LTA4H (0.59) HRH3SIGMAR1ALDH1A1KCNH2
Hydrochloric Acid SCHEMBL227403 0.89 LTA4H (0.58) HRH3SIGMAR1ALDH1A1KCNH2HTR2C
SCHEMBL4767153 0.87 SIGMAR1 (0.63) HRH3SIGMAR1CYP1A2CYP3A4KMT2A
Hydrochloric Acid SCHEMBL6596661 0.87 LTA4H (0.59) HRH3SIGMAR1KCNH2
SCHEMBL10902405 0.86 MEN1 (0.67) SIGMAR1SLC6A3EBPKMT2AMEN1

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 11 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HRH3 561/4885SIGMAR1 778/4885SLC6A3 3831/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885SIGMAR1 743/4885SLC6A3 3696/4885

“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.