SCHEMBL2572049

SCHEMBL2572049

CN(C)CCCOc1cc(CN)ccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.55
KDM4E B2RXH2 3/20 0.53
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LSS P48449 1/20 0.49
HRH1 P35367 1/20 0.48
PTPN1 P18031 1/20 0.47
CSNK2A1 P68400 2/20 0.47
HTR1B P28222 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43

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 0.87 PTPN1 (0.49) HTR7KDM4EALDH1A1PTPN1CSNK2A1
SCHEMBL2808997 0.83 PTPN1 (0.44) HTR7KDM4EALDH1A1SMN1; SMN2PTPN1
SCHEMBL2567891 0.81 KDM4E (0.52) KDM4EADRB2HRH1CSNK2A1HTR1B
SCHEMBL2564130 0.80 KDM4E (0.56) HTR7KDM4EADRB2ADRB1ALDH1A1
SCHEMBL8415073 0.79 HTR7 (0.84) HTR7KDM4EADRB2ADRB1ALDH1A1
SCHEMBL2570251 0.78 CSNK2A1 (0.47) CSNK2A1TP53MAPK1RAB9A
Hydrochloric Acid SCHEMBL11621730 0.78 HTR7 (0.81) HTR7KDM4EADRB2ADRB1ALDH1A1
SCHEMBL27552279 0.77 KDM4E (0.66) HTR7KDM4EADRB2ADRB1ALDH1A1
SCHEMBL2573344 0.77 CSNK2A1 (0.54) CSNK2A1
SCHEMBL2567305 0.77 PTGDR2 (0.43) KDM4EALDH1A1SMN1; 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 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 HTR7 1935/4885KDM4E 3863/4885ADRB2 2809/4885
US-20070179115-A1 Purinenucleoside derivative modified in 8-position and medical use thereof NUDT1, SLC28A2, PNP HTR7 2152/4885KDM4E 3787/4885ADRB2 2661/4885

“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.