SCHEMBL1929557

SCHEMBL1929557

Brc1ccc(N2CCOCC2)cc1OCCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
KDM4E B2RXH2 3/20 0.49
P2RY12 Q9H244 3/20 0.47
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
IGF1R P08069 2/20 0.44
INSR P06213 1/20 0.42
AXL P30530 1/20 0.42

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
SCHEMBL1928729 0.91 KCNH2 (0.51) KDM4EKCNH2HRH3TSHRSMN1; SMN2
SCHEMBL1927551 0.91 KCNH2 (0.51) KDM4EKCNH2HRH3TSHRSMN1; SMN2
SCHEMBL1928414 0.81 HRH3 (0.57) POLBKDM4EHRH3TSHRSMN1; SMN2
SCHEMBL1924882 0.78 LGMN (0.52) POLBKDM4EP2RY12TSHRALDH1A1
SCHEMBL15741712 0.76 POLB (0.57) POLBKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL1927451 0.76 ESR1 (0.56) POLBKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL1929134 0.76 LTA4H (0.52) POLBKDM4EKCNH2HRH3TSHR
SCHEMBL807233 0.74 MEN1 (0.54) POLBKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL30602381 0.74 MEN1 (0.54) POLBKDM4ETSHRSMN1; SMN2ALDH1A1
SCHEMBL15748775 0.73 POLB (0.57) POLBKDM4EHRH3TSHRSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 POLB 3528/4885KDM4E 665/4885P2RY12 747/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 POLB 3727/4885KDM4E 630/4885P2RY12 2592/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 POLB 3528/4885KDM4E 665/4885P2RY12 747/4885

“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.