SCHEMBL25916121

SCHEMBL25916121

CC(=O)Nc1ccc(CN2CCC3(CC2)C(N2CCCCC2)=NC(=O)N3c2cccc(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.62
BACE2 Q9Y5Z0 1/20 0.62
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
KDM4C Q9H3R0 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MCHR1 Q99705 3/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL592530 0.86 BACE1 (0.60) BACE1BACE2ALDH1A1KDM4EKDM4C
SCHEMBL592583 0.84 BACE1 (0.65) BACE1BACE2ALDH1A1KDM4EKDM4C
SCHEMBL3492836 0.79 BACE1 (0.43) BACE1BACE2ALDH1A1SMN1; SMN2MEN1
SCHEMBL25916122 0.78 BACE1 (0.64) BACE1BACE2ALDH1A1SMN1; SMN2HTT
SCHEMBL592553 0.77 BACE1 (0.57) BACE1BACE2MCHR1KCNH2
SCHEMBL593871 0.72 BACE1 (0.53) BACE1BACE2MCHR1TSHRCYP1A2
SCHEMBL8268324 0.72 BACE1 (0.53) BACE1BACE2ALDH1A1TSHRCYP1A2
SCHEMBL13461610 0.71 BACE1 (0.37) BACE1BACE2TP53
SCHEMBL13461566 0.70 BACE1 (0.38) BACE1
SCHEMBL593161 0.70 BACE1 (0.59) BACE1BACE2ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 US disclosed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 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-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 BACE1 5/4885BACE2 12/4885ALDH1A1 3848/4885

“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.