SCHEMBL4239672

SCHEMBL4239672

O=C(O)CC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.68
ALDH1A1 P00352 5/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
DPP4 P27487 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
SCHEMBL4001 0.93 HSD11B1 (0.57) HSD11B1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6490801 0.84 HSD11B1 (0.49) HSD11B1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL977926 0.83 HSD11B1 (0.69) HSD11B1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL6491320 0.83 HSD11B1 (0.51) HSD11B1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL4245329 0.82 HSD11B1 (0.97) HSD11B1KMT2A
SCHEMBL3633468 0.82 HSD11B1 (0.68) HSD11B1ALDH1A1L3MBTL1
SCHEMBL24032745 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL5365797 0.81 HSD11B1 (0.72) HSD11B1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL13719744 0.81 HSD11B1 (0.47) HSD11B1ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL20788461 0.81 HSD11B1 (0.45) HSD11B1ALDH1A1LMNASMN1; SMN2L3MBTL1

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 HSD11B1 1114/4885ALDH1A1 581/4885LMNA 3568/4885

“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.