SCHEMBL2741682

SCHEMBL2741682

O=C(O)c1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.67
CYP2D6 P10635 2/20 0.66
CYP2C9 P11712 1/20 0.66
HIF1A Q16665 1/20 0.66
HDAC1 Q13547 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HRH4 Q9H3N8 1/20 0.60
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.55

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
SCHEMBL2986364 1.00 HRH3 (0.67) HRH3CYP2D6CYP2C9HIF1AHDAC1
SCHEMBL27854081 1.00 HRH3 (0.67) HRH3CYP2D6CYP2C9HIF1AHDAC1
Hydrochloric Acid SCHEMBL10374042 0.98 HRH3 (0.64) HRH3CYP2D6CYP2C9HIF1AHDAC1
Hydrochloric Acid SCHEMBL7654075 0.98 HRH3 (0.64) HRH3CYP2D6CYP2C9HIF1AHDAC1
Hydrochloric Acid SCHEMBL228646 0.98 HRH3 (0.64) HRH3CYP2D6CYP2C9HIF1AHDAC1
SCHEMBL2787677 0.98 HDAC1 (0.67) HRH3CYP2D6CYP2C9HIF1AHDAC1
Hydrochloric Acid SCHEMBL3870152 0.96 HDAC1 (0.65) HRH3CYP2D6CYP2C9HIF1AHDAC1
SCHEMBL20828408 0.94 HDAC1 (0.62) HRH3CYP2D6CYP2C9HIF1AHDAC1
SCHEMBL10074441 0.90 HDAC1 (0.62) HRH3CYP2D6CYP2C9HIF1AHDAC1
SCHEMBL3275253 0.87 HRH3 (0.69) HRH3CYP2D6CYP2C9HIF1AHDAC1

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 14 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-1332162-B1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS BRIDGESTONE CORP (JP) 2013-05-01 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
EP-1332162-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS Bridgestone Corporation (JP) 2003-08-06 EP disclosed
WO-2002038615-A1 FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS BRIDGESTONE CORPORATION (JP) 2002-05-16 WO 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 561/4885CYP2D6 1695/4885CYP2C9 3945/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 HRH3 583/4885CYP2D6 1290/4885CYP2C9 3625/4885

“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.