SCHEMBL513858

SCHEMBL513858

N#Cc1nccnc1N1CCC(=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
LMNA P02545 2/20 0.44
LRRK2 Q5S007 1/20 0.38
KCNJ1 P48048 1/20 0.36
GRM5 P41594 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.34
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
HSD11B1 P28845 1/20 0.32

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
SCHEMBL6598196 0.82 MAPT (0.51) MAPTKCNJ1KDM4EALDH1A1GAA
SCHEMBL6429584 0.80 MAPT (0.48) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL2077222 0.77 MAPT (0.51) MAPTLMNAKCNJ1GRM5KDM4E
SCHEMBL6595642 0.77 KDM4E (0.51) MAPTLMNALRRK2KDM4EALDH1A1
SCHEMBL2077223 0.77 MAPT (0.55) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL3453428 0.77 MAPT (0.48) MAPTKDM4EALDH1A1
SCHEMBL6702628 0.76 KDM4E (0.59) MAPTLMNAGRM5KDM4EALDH1A1
SCHEMBL13036137 0.75 MAPT (0.49) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL10294621 0.73 MAPT (0.51) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL19766581 0.73 MAPT (0.51) MAPTKCNJ1KDM4EALDH1A1GAA

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
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 MAPT 2573/4885LMNA 1601/4885LRRK2 490/4885

“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.