SCHEMBL6982043

SCHEMBL6982043

CCCC1=CC(=NOCCN(C)C)CC(c2cccnc2)N1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34
FXYD2 P54710 1/20 0.34
ATP1A4 Q13733 1/20 0.34
CHRNA7 P36544 1/20 0.34
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 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
SCHEMBL6976410 0.77 TP53 (0.44) TP53MDM2NPSR1ALDH1A1KDM4E
SCHEMBL28502868 0.59 ALDH1A1 (0.72) TP53MDM2NPSR1ALDH1A1KDM4E
SCHEMBL28503664 0.59 ALDH1A1 (0.72) TP53MDM2NPSR1ALDH1A1KDM4E
SCHEMBL29683884 0.59 ALDH1A1 (0.72) TP53MDM2NPSR1ALDH1A1KDM4E
SCHEMBL28508997 0.59 ALDH1A1 (0.72) TP53MDM2NPSR1ALDH1A1KDM4E
SCHEMBL9673151 0.57 ALDH1A1 (0.62) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL9673156 0.57 ALDH1A1 (0.62) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL31019626 0.57 ALDH1A1 (0.62) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL9673161 0.57 ALDH1A1 (0.62) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL30866540 0.57 ALDH1A1 (0.62) ALDH1A1KDM4EGAATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1050530-B1 1-Aza-2-alkyl-6-aryl-cycloalkanes usefull as memory enhancers SERVIER LAB (FR) 2003-10-22 EP disclosed
US-6451789-B1 CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS LES LABORTOIRES SERVIER (FR) 2002-09-17 US disclosed
US-20020042413-A1 1-aza-2-alkyl-6-aryl-cycloalkanes RAULT SYLVAIN (FR) 2002-04-11 US disclosed
US-6323222-B1 COGNITION ACTIVATORS, ALZHEIMER*S DISEASE AND ENZYME INHIBITORS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed
EP-1050530-A1 1-Aza-2-alkyl-6-aryl-cycloalkanes usefull as memory enhancers ADIR ET COMPAGNIE (FR) 2000-11-08 EP 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-20020042413-A1 1-aza-2-alkyl-6-aryl-cycloalkanes SULT2A1, GRIN2A, NR3C1 TP53 3008/4885MDM2 2666/4885NPSR1 287/4885

“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.