SCHEMBL2907911

SCHEMBL2907911

COc1cc2nc(CN3CCCN(Cc4nc5cc(OC)c(OC)c(OC)c5[nH]4)CC3)[nH]c2c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.46
DRD4 P21917 4/20 0.46
DRD2 P14416 1/20 0.46
CACNA1G O43497 1/20 0.44
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
POLB P06746 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CASP1 P29466 1/20 0.39
HBB P68871 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2910611 0.96 MAPT (0.51) MAPTKDM4EDRD4DRD2CACNA1G
SCHEMBL2907909 0.81 KDM4E (0.45) MAPTKDM4EDRD4DRD2CACNA1G
SCHEMBL2902310 0.77 KDM4E (0.47) KDM4EDRD2ALDH1A1POLBHPGD
SCHEMBL2909995 0.76 KDM4E (0.41) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL2903412 0.76 KDM4E (0.44) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL2910606 0.76 DRD4 (0.47) MAPTKDM4EDRD4DRD2CACNA1G
SCHEMBL2911395 0.74 KDM4E (0.46) KDM4EALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL2909778 0.73 KDM4E (0.45) MAPTKDM4EALDH1A1POLBMEN1
SCHEMBL2910348 0.73 KDM4E (0.45) KDM4EALDH1A1POLBSMN1; SMN2LMNA
SCHEMBL2908065 0.73 KDM4E (0.45) MAPTKDM4EDRD2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 US 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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 MAPT 4342/4885KDM4E 2052/4885DRD4 350/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 MAPT 4342/4885KDM4E 2052/4885DRD4 350/4885

“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.