SCHEMBL11935489

SCHEMBL11935489

Cc1cc(OCC2CC2)ccc1NCC1CCC(N)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 1/20 0.41
PTGER4 P35408 3/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 1/20 0.39
PARP15 Q460N3 3/20 0.38
PARP10 Q53GL7 3/20 0.38
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PRKCQ Q04759 1/20 0.38
P2RX7 Q99572 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM6B O15054 1/20 0.36
LRRK2 Q5S007 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL13439234 1.00 GPR4 (0.41) GPR4PTGER4JAK2JAK1TYK2
SCHEMBL13439229 0.82 HRH3 (0.41) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL11935473 0.82 HRH3 (0.41) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL13438679 0.79 PTGER4 (0.44) PTGER4PRKCQKHK
SCHEMBL11935117 0.79 PTGER4 (0.44) PTGER4PRKCQKHK
SCHEMBL11935508 0.79 PTGER4 (0.41) GPR4PTGER4PRKCQLRRK2KHK
SCHEMBL13439251 0.79 PTGER4 (0.41) GPR4PTGER4PRKCQLRRK2KHK
SCHEMBL13113919 0.79 PARP15 (0.44) PARP15PARP10PARP2P2RX7SLC6A2
SCHEMBL13564939 0.78 ACACB (0.39) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL17090034 0.78 ACACB (0.39) PTGER4JAK2JAK1TYK2JAK3

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 GPR4 105/4885PTGER4 935/4885JAK2 323/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R GPR4 85/4885PTGER4 1778/4885JAK2 251/4885

“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.