SCHEMBL13433979

SCHEMBL13433979

COCCCOc1cc(C)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
P2RY12 Q9H244 1/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM1A O60341 1/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 2/20 0.43
SYK P43405 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 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
SCHEMBL20630878 0.92 P2RY12 (0.49) KDM4EMAPTL3MBTL1ALOX15P2RY12
SCHEMBL23118210 0.85 KCNH2 (0.45) KDM4EMAPTL3MBTL1ALOX15P2RY12
SCHEMBL8284752 0.83 P2RY12 (0.42) KDM4EP2RY12NPC1HPGDRAB9A
SCHEMBL16440175 0.82 ALDH1A1 (0.56) KDM4EMAPTL3MBTL1NPC1HPGD
SCHEMBL12385978 0.82 POLB (0.48) MAPTL3MBTL1HPGDKCNH2ALDH1A1
SCHEMBL70658 0.78 DRD2 (0.44) MAPTP2RY12NPC1RAB9AKCNH2
SCHEMBL13723948 0.78 GAA (0.54) KDM4EMAPTP2RY12KCNH2ALDH1A1
SCHEMBL16440162 0.77 ALDH1A1 (0.48) MAPTHPGDKCNH2ALDH1A1LMNA
SCHEMBL12527305 0.77 GAA (0.52) KDM4EMAPTP2RY12KCNH2ALDH1A1
SCHEMBL16477795 0.76 KCNH2 (0.41) KDM4EMAPTL3MBTL1ALOX15P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 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 (1 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 KDM4E 1427/4885MAPT 3478/4885L3MBTL1 3531/4885

“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.