SCHEMBL19911630

SCHEMBL19911630

CCCCCCCCN(CCCCCCCC)CCn1nnc2ccc(F)cc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 5/20 0.49
ICMT O60725 3/20 0.40
HCAR3 P49019 2/20 0.40
PDE2A O00408 1/20 0.37
TDO2 P48775 2/20 0.37
GRM2 Q14416 1/20 0.36
ALB P02768 1/20 0.36
CYP4Z1 Q86W10 2/20 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
SCHEMBL19911623 0.90 SLC9A1 (0.49) SLC9A1ICMTHCAR3TDO2GRM2
SCHEMBL19911634 0.89 SLC9A1 (0.44) SLC9A1ICMTHCAR3PDE2AGRM2
SCHEMBL19911498 0.86 SLC9A1 (0.50) SLC9A1HCAR3TDO2CYP4Z1
SCHEMBL19911605 0.85 SLC9A1 (0.49) SLC9A1HCAR3TDO2CYP4Z1
SCHEMBL19915957 0.84 SLC9A1 (0.46) SLC9A1ICMTHCAR3PDE2ATDO2
SCHEMBL19848592 0.84 SLC9A1 (0.62) SLC9A1HCAR3TDO2GRM2
SCHEMBL19911528 0.83 SLC9A1 (0.47) SLC9A1HCAR3
SCHEMBL19915673 0.82 SLC9A1 (0.46) SLC9A1ICMTHCAR3TDO2
SCHEMBL19911447 0.82 SLC9A1 (0.74) SLC9A1GRM2CYP4Z1
SCHEMBL19911629 0.81 SLC9A1 (0.60) SLC9A1HCAR3TDO2GRM2

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 SLC9A1 341/4885ICMT 374/4885HCAR3 4636/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 SLC9A1 341/4885ICMT 374/4885HCAR3 4636/4885

“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.