SCHEMBL11935504

SCHEMBL11935504

Cc1c(NCC2CCC(N)CC2)ccc(OCC2CC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.42
LRRK2 Q5S007 1/20 0.36
PRKCQ Q04759 2/20 0.36
KHK P50053 1/20 0.36
F2 P00734 2/20 0.34
PRSS1 P07477 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
RIPK1 Q13546 1/20 0.34
PAK4 O96013 1/20 0.33
PAK1 Q13153 1/20 0.33
BTK Q06187 1/20 0.33
GPR4 P46093 1/20 0.33
LIPC P11150 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
BRD4 O60885 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 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
SCHEMBL13439250 1.00 PTGER4 (0.42) PTGER4LRRK2PRKCQKHKF2
SCHEMBL13439251 0.85 PTGER4 (0.41) PTGER4LRRK2PRKCQKHKF2
SCHEMBL11935508 0.85 PTGER4 (0.41) PTGER4LRRK2PRKCQKHKF2
SCHEMBL11935507 0.82 PTGER4 (0.41) PTGER4F2PRSS1LIPCLIPG
SCHEMBL13439249 0.82 PTGER4 (0.41) PTGER4F2PRSS1LIPCLIPG
SCHEMBL13105738 0.78 RIPK1 (0.40) RIPK1BRD4HTR2AHTR2CHTR2B
SCHEMBL13565174 0.78 PTGER4 (0.36) PTGER4BRD4
SCHEMBL17090197 0.78 PTGER4 (0.36) PTGER4BRD4
SCHEMBL13439234 0.77 GPR4 (0.41) PTGER4LRRK2PRKCQKHKGPR4
SCHEMBL11935489 0.77 GPR4 (0.41) PTGER4LRRK2PRKCQKHKGPR4

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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (2 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R PTGER4 935/4885LRRK2 1529/4885PRKCQ 3402/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PTGER4 1778/4885LRRK2 1631/4885PRKCQ 3368/4885

“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.