SCHEMBL13246643

SCHEMBL13246643

Cc1cccnc1NC1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
GAA P10253 2/20 0.55
LRRK2 Q5S007 3/20 0.51
PDE10A Q9Y233 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.47
OPRL1 P41146 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CHRM4 P08173 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
MAPT P10636 1/20 0.44
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX15 P16050 1/20 0.43
TRPM8 Q7Z2W7 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
SCHEMBL11491661 1.00 KDM4E (0.55) KDM4EGAALRRK2PDE10AL3MBTL1
SCHEMBL14818786 0.98 KDM4E (0.52) KDM4EGAALRRK2PDE10AL3MBTL1
SCHEMBL14818766 0.95 PDE10A (0.51) KDM4EGAALRRK2PDE10AL3MBTL1
SCHEMBL14818705 0.91 PDE10A (0.56) KDM4EGAALRRK2PDE10AL3MBTL1
SCHEMBL9417378 0.91 PDE10A (0.49) KDM4EGAALRRK2PDE10AL3MBTL1
SCHEMBL9417382 0.91 PDE10A (0.49) KDM4EGAALRRK2PDE10AL3MBTL1
SCHEMBL7698521 0.83 PDE10A (0.51) KDM4EGAALRRK2PDE10AL3MBTL1
SCHEMBL1746230 0.80 KDM4E (0.51) KDM4EGAALRRK2L3MBTL1ALDH1A1
SCHEMBL19851082 0.79 KDM4E (0.55) KDM4EGAALRRK2L3MBTL1ALDH1A1
SCHEMBL21093636 0.79 KDM4E (0.55) KDM4EGAALRRK2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-15 US disclosed
EP-2060563-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-05-20 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 (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-20100179118-A1 CYCLIC AMINOALKYLCARBOXAMIDE DERIVATIVE HRH2, HRH1, HRH4 KDM4E 802/4885GAA 4655/4885LRRK2 3035/4885

“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.