SCHEMBL2808997

SCHEMBL2808997

CCN(CCO)CCCOc1cc(CN)ccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CSNK2A1 P68400 2/20 0.41
BIRC5 O15392 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL2573003 0.93 PTPN1 (0.49) PTPN1SCN1ASCN2ASCN3ACSNK2A1
SCHEMBL2804939 0.84 AURKA (0.46) PTPN1SCN1ASCN2ASCN3AKDM4E
SCHEMBL2572049 0.83 HTR7 (0.55) PTPN1CSNK2A1KDM4EHTR7ALDH1A1
SCHEMBL2803215 0.79 HDAC1 (0.42) PTPN1SCN1ASCN2ASCN3AKDM4E
SCHEMBL2567305 0.78 PTGDR2 (0.43) SCN1ASCN2ASCN3AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11617306 0.75 PTGDR2 (0.51) PTPN1SCN1ASCN2ASCN3AKDM4E
SCHEMBL2567891 0.75 KDM4E (0.52) CSNK2A1KDM4ETP53MAPK1RAB9A
SCHEMBL2571700 0.75 CCR6 (0.43) KDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL16501351 0.74 ADRB2 (0.45) KDM4EHTR7ALDH1A1SMN1; SMN2TP53
SCHEMBL2567693 0.73 CCR6 (0.48) CSNK2A1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTPN1 1677/4885SCN1A 1643/4885SCN2A 2036/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP PTPN1 1833/4885SCN1A 1615/4885SCN2A 2007/4885

“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.