SCHEMBL18017249

SCHEMBL18017249

CC(=O)N1CC2CCN(C(C)=O)C2C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA4 P43681 3/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
CHRNA7 P36544 1/20 0.36
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 3/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM1 P11229 1/20 0.34
DPP4 P27487 3/20 0.34
EPHX2 P34913 1/20 0.34
USP30 Q70CQ3 2/20 0.34
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33

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
SCHEMBL4887983 0.89 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB4CHRM2
SCHEMBL34473742 0.87 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL34473242 0.87 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL24404469 0.84 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL15948708 0.81 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL18711404 0.81 USP30 (0.47) USP30
SCHEMBL18711401 0.81 USP30 (0.53) USP30
SCHEMBL14196281 0.81 USP30 (0.53) USP30
SCHEMBL14836434 0.78 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL15946734 0.77 CHRNB2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3

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-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 US disclosed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 US disclosed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 US disclosed
WO-2016128456-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 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 (2 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-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRNB2 17/4885CHRNA3 37/4885CHRNA4 39/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B CHRNB2 17/4885CHRNA3 37/4885CHRNA4 39/4885

“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.