SCHEMBL224640

SCHEMBL224640

NCc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.76
PSMB5 P28074 1/20 0.76
PSMB2 P49721 1/20 0.76
HRH3 Q9Y5N1 9/20 0.73
LTA4H P09960 9/20 0.68
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
ACHE P22303 1/20 0.62
RAD52 P43351 1/20 0.62
KCNH2 Q12809 1/20 0.61

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
SCHEMBL6947417 0.98 PSMB1 (0.73) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL14287622 0.92 HRH3 (0.77) HRH3ACHERAD52KCNH2
SCHEMBL23291141 0.87 PSMB1 (0.71) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL15876462 0.87 PSMB1 (0.71) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL15876472 0.85 LTA4H (0.68) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL15876475 0.85 LTA4H (0.72) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL30777699 0.85 HRH3 (1.00) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL3580727 0.85 HRH3 (1.00) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL4286569 0.84 KDM4E (0.72) PSMB1PSMB5PSMB2LTA4H
Hydroxyamine SCHEMBL6816656 0.84 HRH3 (0.80) PSMB1PSMB5PSMB2HRH3LTA4H

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-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
EP-0306827-B1 AMIDE COMPOUNDS, PROCESS FOR PREPARING THE SAME, AND COMPOSITION FOR ACTIVATING GASTRIC MOTOR FUNCTION CONTAINING THE SAME Hokuriku Pharmaceutical Co.,Ltd (JP) 1991-09-04 EP disclosed
US-4983633-A Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-08 US disclosed
EP-0306827-A1 Amide compounds, process for preparing the same, and composition for activating gastric motor function containing the same Hokuriku Pharmaceutical Co.,Ltd (JP) 1989-03-15 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 PSMB1 500/4885PSMB5 702/4885PSMB2 875/4885
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 PSMB1 1323/4885PSMB5 1564/4885PSMB2 1574/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 PSMB1 658/4885PSMB5 695/4885PSMB2 1056/4885

“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.