SCHEMBL19911473

SCHEMBL19911473

CCCCCCCCN(CCCCCCCC)CCn1nnc2c(C)cccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.51
▸ SLC9A1 P19634 5/20 0.47
▸ TLR8 Q9NR97 2/20 0.43
▸ NPC1 O15118 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL6241554 0.88 GRM2 (0.46) GRM2SLC9A1TLR8HRH3MCHR1
SCHEMBL17728249 0.88 GRM2 (0.46) GRM2SLC9A1TLR8HRH3MCHR1
SCHEMBL30627901 0.88 GRM2 (0.46) GRM2SLC9A1TLR8HRH3MCHR1
SCHEMBL19911456 0.83 GRM2 (0.70) GRM2SLC9A1TLR8NPC1ALDH1A1
SCHEMBL17291776 0.83 GRM2 (0.43) GRM2SLC9A1NPC1
SCHEMBL20942800 0.82 GRM2 (0.41) GRM2SLC9A1TLR8MCHR1KCNH2
SCHEMBL14785508 0.81 GRM2 (0.45) GRM2SLC9A1TLR8NPC1ALDH1A1
SCHEMBL19911457 0.80 GRM2 (0.69) GRM2SLC9A1TLR8NPC1ALDH1A1
SCHEMBL19911447 0.80 SLC9A1 (0.74) GRM2SLC9A1NPC1LMNA
SCHEMBL30620226 0.79 GRM2 (0.48) GRM2SLC9A1NPC1

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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 — — US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 — — US disclosed
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 — — 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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery BPTF, BRD4, KCNN2 GRM2 2693/4885SLC9A1 341/4885TLR8 4192/4885
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.

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