SCHEMBL17828279

SCHEMBL17828279

CCn1nnc2c(C)cccc21

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 15/20 0.67
SLC9A1 P19634 2/20 0.55
TLR8 Q9NR97 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL19911457 0.86 GRM2 (0.69) GRM2SLC9A1TLR8NPC1
SCHEMBL4233106 0.85 GRM2 (0.49) GRM2SLC9A1NPC1
SCHEMBL4083654 0.84 GRM2 (0.47) GRM2TLR8NPC1
SCHEMBL29356302 0.84 GRM2 (0.47) GRM2TLR8NPC1
SCHEMBL19911462 0.84 GRM2 (0.47) GRM2NPC1
SCHEMBL19911456 0.83 GRM2 (0.70) GRM2SLC9A1TLR8NPC1
SCHEMBL975383 0.82 GRM2 (0.46) GRM2SLC9A1TLR8NPC1
SCHEMBL19911463 0.81 GRM2 (0.45) GRM2NPC1
SCHEMBL10956553 0.81 GRM2 (0.45) GRM2NPC1
SCHEMBL284634 0.80 GRM2 (0.65) GRM2SLC9A1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 EP disclosed
US-20160168389-A1 COMPOSITION INCLUDING FLUORINE-CONTAINING POLYMER COMPRISING AT LEAST ONE TYPE OF GROUP SELECTED FROM GROUP COMPRISING POLYMERIZABLE FUNCTIONAL GROUPS AND CROSS-LINKABLE FUNCTIONAL GROUPS; AND COATED ARTICLE DAIKIN INDUSTRIES, LTD. (JP) 2016-06-16 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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 GRM2 2693/4885SLC9A1 341/4885TLR8 4192/4885

“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.