SCHEMBL25091041

SCHEMBL25091041

CS[C@H]1CC[C@H](NCc2ccc(F)cc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.53
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
CXCR3 P49682 2/20 0.39
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
CYP2D6 P10635 2/20 0.37
GPR6 P46095 2/20 0.37
PABPC1 P11940 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAOB P27338 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL30802465 0.88 BCHE (0.63) BACE1BCHEACHECXCR3BRD4
SCHEMBL24619033 0.81 BCHE (0.54) BACE1BCHEACHECXCR3BRD4
SCHEMBL22570091 0.81 BCHE (0.54) BACE1BCHEACHECXCR3BRD4
SCHEMBL24267565 0.81 BCHE (0.54) BACE1BCHEACHECXCR3BRD4
SCHEMBL24079779 0.80 BCHE (0.59) BACE1BCHEACHECXCR3KDM4E
SCHEMBL24267939 0.80 BCHE (0.53) BACE1BCHEACHECXCR3BRD4
SCHEMBL25091289 0.79 BCHE (0.52) BACE1BCHEACHECXCR3BRD4
SCHEMBL20766753 0.78 BCHE (0.64) BACE1BCHEACHECXCR3KDM4E
SCHEMBL29546328 0.78 BCHE (0.64) BACE1BCHEACHECXCR3KDM4E
SCHEMBL25570743 0.78 BCHE (0.56) BACE1BCHEACHECXCR3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK BACE1 4432/4885BCHE 4433/4885ACHE 4844/4885

“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.