SCHEMBL13105751

SCHEMBL13105751

CNc1ccc(OC2CC(C)OC(C)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
APP P05067 2/20 0.33
MAPT P10636 1/20 0.30

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
SCHEMBL14862510 0.79 SLC6A4 (0.35) KMT2ASLC6A4SLC6A2SLC6A3APP
SCHEMBL14862509 0.79 SLC6A4 (0.35) KMT2ASLC6A4SLC6A2SLC6A3APP
SCHEMBL17361821 0.77 CARM1 (0.40)
SCHEMBL11936060 0.75 HRH3 (0.44) KMT2AAPPMAPT
SCHEMBL23536184 0.75 NPC1 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL6783976 0.74 PARP10 (0.49)
SCHEMBL13104997 0.74 KAT2B (0.44) APP
SCHEMBL13439276 0.73 KDM4E (0.37) KMT2AMAPT
SCHEMBL11935533 0.73 KDM4E (0.37) KMT2AMAPT
SCHEMBL13105792 0.73 ALDH1A1 (0.45)

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-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 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-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KMT2A 2517/4885SLC6A4 328/4885SLC6A2 256/4885

“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.