SCHEMBL14706751

SCHEMBL14706751

CC(C)OC(=O)C1CCN(C(=O)C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38

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
SCHEMBL14465907 0.84 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL2939798 0.84 MAPT (0.42) MAPTHRH3ALDH1A1MEN1KMT2A
SCHEMBL25067239 0.79 TP53 (0.42) MAPTHRH3ALDH1A1SMN1; SMN2TP53
SCHEMBL13981343 0.79 MAPT (0.67) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL22461356 0.78 HRH3 (0.41) MAPTHRH3ALDH1A1SMN1; SMN2GAA
SCHEMBL1296764 0.78 TSHR (0.43) ALDH1A1KMT2ASMN1; SMN2KDM4ETP53
SCHEMBL2657918 0.78
SCHEMBL23396158 0.78 HRH3 (0.50) MAPTHRH3ALDH1A1SMN1; SMN2TP53
SCHEMBL16643864 0.77 MEN1 (0.50) HRH3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12531876 0.77 MEN1 (0.46) HRH3ALDH1A1MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B MAPT 2399/4885HRH3 141/4885ALDH1A1 1240/4885

“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.