SCHEMBL227615

SCHEMBL227615

Brc1ccc(OCCN2CCCCC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
HTR2A P28223 2/20 0.57
HTR7 P34969 2/20 0.57
HTR6 P50406 2/20 0.57
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 2/20 0.56
NOS3 P29474 1/20 0.55
NOS1 P29475 1/20 0.55
NOS2 P35228 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HRH1 P35367 2/20 0.51
DRD2 P14416 1/20 0.51
DRD1 P21728 1/20 0.51
DRD4 P21917 1/20 0.51
DRD5 P21918 1/20 0.51
DRD3 P35462 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL3577690 0.94 KDM4E (0.61) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL2325256 0.83 KDM4E (0.65) HRH3TDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4246615 0.82 NOS3 (0.62) HRH3HTR2AHTR7HTR6TSHR
SCHEMBL14040718 0.82 TDP1 (0.66) HRH3HTR2AHTR7HTR6TSHR
SCHEMBL4083089 0.80 KDM4E (0.64) HRH3HTR2AHTR7HTR6TSHR
SCHEMBL2321726 0.80 KDM4E (0.69) HTR7TSHRTDP1KDM4EALDH1A1
SCHEMBL12676999 0.79 TSHR (0.52) HRH3HTR2AHTR7HTR6TSHR
SCHEMBL14970486 0.79 HRH3 (0.81) HRH3HTR2AHTR7HTR6TSHR
SCHEMBL2741688 0.78 DRD2 (0.57) TSHRNOS3NOS1NOS2KDM4E
Hydrochloric Acid SCHEMBL226857 0.77 DRD2 (0.56) TSHRNOS3NOS1NOS2KDM4E

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 HRH3 561/4885HTR2A 1494/4885HTR7 1568/4885
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 HRH3 114/4885HTR2A 4425/4885HTR7 3366/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885HTR2A 1377/4885HTR7 1447/4885

“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.