SCHEMBL17811634

SCHEMBL17811634

CC1CCn2nc(C(C)(C)C)cc21

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL24252084 0.90 KCNH2 (0.33) KDM4EGRNSORT1HRH4
SCHEMBL26076020 0.81 HRH4 (0.33) GRM5KDM4EGRNSORT1HRH4
SCHEMBL17811628 0.78 RIPK1 (0.32) GRM5
SCHEMBL22309037 0.75 HRH4 (0.32) HRH4
SCHEMBL20221858 0.74 RIPK1 (0.55) GRM5GRNSORT1
SCHEMBL17811635 0.72 NOS3 (0.33)
SCHEMBL25596570 0.71 MAPK13 (0.30) GRM5
SCHEMBL20221918 0.69 RIPK1 (0.47)
SCHEMBL13093345 0.67 KDM4E (0.44) KDM4EGRNSORT1
SCHEMBL20221922 0.66 APP (0.38) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605004-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-03-28 US disclosed
US-9605004-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-03-28 US disclosed
US-20160168126-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-16 US disclosed
US-20160159819-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2016-06-09 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-20160168126-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 GRM5 2212/4885KDM4E 733/4885GRN 4182/4885
US-20160159819-A1 CHEMICAL COMPOUNDS RDX, CBR3, RRS1 GRM5 2087/4885KDM4E 891/4885GRN 4083/4885

“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.