SCHEMBL4245374

SCHEMBL4245374

COC(=O)C(C)(c1ccc(C#N)cc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CHRM3 P20309 12/20 0.45
CHRM2 P08172 6/20 0.43
CHRM4 P08173 6/20 0.43
CHRM1 P11229 6/20 0.43
EPHX1 P07099 1/20 0.42
PRSS1 P07477 2/20 0.41
CTSG P08311 2/20 0.41
CTRB1 P17538 2/20 0.41
CMA1 P23946 2/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL4245335 0.84 CHRM3 (0.45) CHRM3CHRM2CHRM4CHRM1TSHR
SCHEMBL14390277 0.81 CHRM3 (0.73) CHRM3CHRM2CHRM4CHRM1
SCHEMBL4244420 0.81 CHRM3 (0.51) CHRM3CHRM2CHRM4CHRM1MEN1
SCHEMBL4241540 0.81 CHRM3 (0.51) NPC1RAB9ACHRM3CHRM2CHRM4
SCHEMBL4242254 0.81 CHRM3 (0.48) CHRM3CHRM2CHRM4CHRM1
SCHEMBL3553408 0.81 CHRM3 (0.48) CHRM3CHRM2CHRM4CHRM1
Iodide SCHEMBL4247352 0.81 CHRM3 (0.71) CHRM3CHRM2CHRM4CHRM1
SCHEMBL4208886 0.80 CHRM3 (0.64) CHRM3CHRM2CHRM4CHRM1
SCHEMBL2655676 0.80 CHRM3 (0.64) CHRM3CHRM2CHRM4CHRM1
SCHEMBL13701624 0.79 NPC1 (0.43) NPC1RAB9AEPHX1PRSS1CTSG

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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-2013172-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 WO disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder CHRM3, CHRM2, CHRM1 NPC1 4618/4885RAB9A 2422/4885CHRM3 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.