SCHEMBL6443593

SCHEMBL6443593

CC(C)C(NC(=O)OCC1CCCN(C)C1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRM3 P20309 8/20 0.41
BCHE P06276 6/20 0.41
ACHE P22303 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 2/20 0.39
CTSK P43235 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 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
SCHEMBL6443596 1.00 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRM3
SCHEMBL6149670 0.85 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CTSKCTSLCTSB
SCHEMBL15058599 0.82 TP53 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL15058598 0.82 TP53 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL6448368 0.81 CHRM3 (0.49) CHRNB2CHRNA4CHRM3
SCHEMBL6448371 0.81 CHRM3 (0.49) CHRNB2CHRNA4CHRM3
Lithium SCHEMBL7290335 0.80 CHRM3 (0.48) CHRNB2CHRNA4CHRM3
SCHEMBL7290330 0.80 CHRM3 (0.48) CHRNB2CHRNA4CHRM3
SCHEMBL6446436 0.77 CHRM3 (0.46) CHRNB2CHRNA4CHRM3ALDH1A1SMN1; SMN2
SCHEMBL6446431 0.77 CHRM3 (0.46) CHRNB2CHRNA4CHRM3ALDH1A1SMN1; SMN2

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CHRNB2 47/4885CHRNB4 60/4885CHRNA3 113/4885

“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.