SCHEMBL4247916

SCHEMBL4247916

CC(C(=O)O)(c1cccc(F)c1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
KCNN4 O15554 4/20 0.45
CHRM3 P20309 11/20 0.44
RIPK1 Q13546 1/20 0.42
CHRM2 P08172 5/20 0.41
CHRM4 P08173 5/20 0.41
CHRM1 P11229 5/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4238414 0.87 CHRM3 (0.47) KCNN4CHRM3RIPK1CHRM2CHRM4
SCHEMBL4213705 0.84 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL4203592 0.84 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL4203042 0.84 KEAP1 (0.61) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL2788610 0.82 KEAP1 (0.59) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL6587160 0.82 KEAP1 (0.69) KEAP1NFE2L2KCNN4CHRM3CHRM2
SCHEMBL21820752 0.81 KEAP1 (0.48) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL22832489 0.81 KEAP1 (0.43) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL14587261 0.80 KEAP1 (0.56) KEAP1NFE2L2CHRM3CHRM2CHRM4
SCHEMBL29005770 0.80 KEAP1 (0.47) KEAP1NFE2L2CHRM3CHRM2CHRM4

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 3 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

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 KEAP1 3069/4885NFE2L2 3953/4885KCNN4 765/4885

“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.