SCHEMBL21621772

SCHEMBL21621772

Cc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.61
MDH2 P40926 1/20 0.45
CFTR P13569 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2A Q12879 3/20 0.42
GRIN2D O15399 2/20 0.42

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
SCHEMBL30570560 1.00 ACHE (0.61) ACHEMDH2CFTRNPSR1KDM4E
SCHEMBL14258738 0.79 ACHE (0.80) ACHEMDH2HDAC1HDAC6GRIN1
SCHEMBL12480418 0.77 L3MBTL1 (0.53) ACHENPSR1KDM4EALDH1A1MAPT
SCHEMBL2593829 0.76 ACHE (1.00) ACHEHDAC1HDAC6GRIN1GRIN2A
SCHEMBL12456065 0.74 ACHE (0.45) ACHEMDH2NPSR1GRIN1GRIN2A
SCHEMBL2909839 0.74 GAA (0.45) ACHEKDM4EALDH1A1HPGDLMNA
SCHEMBL26227503 0.73 ACHE (0.37) ACHENPSR1KDM4EALDH1A1MAPT
SCHEMBL12868181 0.67 ACHE (0.61) ACHEGAAKMT2AHDAC1HDAC6
SCHEMBL2913569 0.67 GAA (0.48) ACHEALDH1A1GAAHTTKMT2A
SCHEMBL27118360 0.67 ACHE (0.63) ACHENPSR1KDM4EALDH1A1MAPT

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
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
WO-2020012427-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2020-01-16 WO 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-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 ACHE 4120/4885MDH2 3253/4885CFTR 1/4885

“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.