SCHEMBL12415835

SCHEMBL12415835

Cc1ccc(-c2ccc3c(n2)OCCN3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
NISCH Q9Y2I1 3/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MITF O75030 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5C P41229 1/20 0.35
PAX8 Q06710 1/20 0.35
SLC6A2 P23975 1/20 0.34

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
SCHEMBL12507790 0.79 ALDH1A1 (0.43) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL20571617 0.77 MAPT (0.45) GRM5MAPT
SCHEMBL852827 0.77 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL2111484 0.77 ENPP3 (0.34) ALDH1A1MEN1KMT2ALMNAENPP3
SCHEMBL14552590 0.72 MAPT (0.44) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL1812780 0.72 KDM1A (0.47) GRM5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL12872748 0.72 MAP4K1 (0.48) ALDH1A1GAAMAPTHSD17B10MAP4K1
SCHEMBL382392 0.70 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL22048899 0.70 GRM5 (0.51) GRM5ALDH1A1GAAMAPTHSD17B10
SCHEMBL20870315 0.70 GRM5 (0.48) GRM5ALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-07-14 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-20110172217-A1 RING-FUSED MORPHOLINE DERIVATIVE HAVING PI3K-INHIBITING ACTIVITY PIK3R3, AKT3, AKT2 GRM5 1550/4885ALDH1A1 4349/4885GAA 1741/4885

“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.