SCHEMBL19911596

SCHEMBL19911596

Nc1ccc2nnn(CN3CCCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
ACHE P22303 2/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMO O15229 1/20 0.34
MAPT P10636 1/20 0.34
TDO2 P48775 2/20 0.33
DRD2 P14416 1/20 0.33
MAOA P21397 1/20 0.33
RAD52 P43351 1/20 0.33
SLC9A1 P19634 1/20 0.33
POLB P06746 1/20 0.32
BCHE P06276 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL19848723 0.88 CYP2D6 (0.48) CYP2D6ACHEALDH1A1GAACYP2C9
SCHEMBL19848712 0.82 CYP2D6 (0.48) CYP2D6ACHEALDH1A1GAACYP2C9
SCHEMBL19848731 0.82 CYP2D6 (0.48) CYP2D6ALDH1A1GAACYP2C9CYP2C19
SCHEMBL19848319 0.78 CYP2D6 (0.45) CYP2D6ALDH1A1GAAKDM4EMAPT
SCHEMBL19848333 0.78 CYP2D6 (0.45) CYP2D6GAA
SCHEMBL4340679 0.78 CYP2D6 (0.74) CYP2D6GAACYP2C9CYP2C19NPC1
SCHEMBL10625061 0.76 CYP2D6 (0.72) CYP2D6GAACYP2C9CYP2C19NPC1
SCHEMBL19911570 0.76 ALDH1A1 (0.46) CYP2D6ALDH1A1GAANPC1MAPT
SCHEMBL19911600 0.76 SLC9A1 (0.58) ALDH1A1GAAKDM4ENPC1L3MBTL1
SCHEMBL19911606 0.76 KMO (0.41) KDM4ENPC1L3MBTL1KMOMAPT

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-10756394-B2 Nonaqueous electrolyte and nonaqueous secondary battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-08-25 US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP 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 CYP2D6 1834/4885ACHE 2358/4885ALDH1A1 3497/4885
US-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 CYP2D6 1834/4885ACHE 2358/4885ALDH1A1 3497/4885

“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.