SCHEMBL2567941

SCHEMBL2567941

NCc1ccc(-c2cccc(OCCCN3CCCCC3)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.70
BACE1 P56817 1/20 0.67
LTA4H P09960 1/20 0.65
HRH1 P35367 1/20 0.63
KCNH2 Q12809 1/20 0.63
KDM4E B2RXH2 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL2568626 0.99 HRH3 (0.68) HRH3BACE1LTA4HHRH1KCNH2
SCHEMBL21462645 0.86 HRH3 (0.86) HRH3BACE1LTA4HHRH1KCNH2
SCHEMBL14287622 0.83 HRH3 (0.77) HRH3KCNH2
SCHEMBL2573680 0.82 HRH3 (0.66) HRH3BACE1LTA4HHRH1KCNH2
SCHEMBL3133804 0.82 HRH3 (0.70) HRH3BACE1LTA4HHRH1KCNH2
SCHEMBL491712 0.81 HRH3 (0.97) HRH3BACE1LTA4HKCNH2KDM4E
SCHEMBL2568425 0.80 HRH3 (0.64) HRH3BACE1LTA4HHRH1KCNH2
SCHEMBL5858684 0.80 HRH3 (0.95) HRH3BACE1LTA4HKCNH2KDM4E
SCHEMBL4286569 0.80 KDM4E (0.72) BACE1LTA4HKDM4EL3MBTL1
SCHEMBL2578358 0.79 HRH3 (0.55) HRH3BACE1LTA4HHRH1KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1813623-B1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF KISSEI PHARMACEUTICAL (JP) 2011-11-09 EP disclosed
US-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-7795236-B2 Purine nucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-14 US disclosed
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1813623-A1 PURINENUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICINAL USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 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 (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-20100249054-A9 PURINE NUCLEOSIDE DERIVATIVE MODIFIED IN 8-POSITION AND MEDICAL USE THEREOF NUDT1, PNP, SLC28A2 HRH3 597/4885BACE1 2870/4885LTA4H 1776/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HRH3 504/4885BACE1 3062/4885LTA4H 1619/4885

“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.