SCHEMBL4242183

SCHEMBL4242183

O=C(O)CC1(c2cccc(F)c2)CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.65
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
SLC6A2 P23975 1/20 0.56
CCR2 P41597 1/20 0.43
ALDH1A1 P00352 3/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL627858 0.97 HSD11B1 (0.60) HSD11B1SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL17761325 0.86 SLC6A4 (0.55) HSD11B1SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL17761207 0.85 SLC6A4 (0.57) HSD11B1SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL17761235 0.83 SLC6A4 (0.51) HSD11B1SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL27770427 0.82 SLC6A4 (0.58) HSD11B1SLC6A4SLC6A3SLC6A2CCR2
SCHEMBL977926 0.81 HSD11B1 (0.69) HSD11B1SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL2499568 0.81 HSD11B1 (0.56) HSD11B1SLC6A4SLC6A3OPRM1
SCHEMBL4242554 0.81 SMN1; SMN2 (0.54) HSD11B1SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL28886307 0.80 HSD11B1 (0.48) HSD11B1SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL4245329 0.80 HSD11B1 (0.97) HSD11B1SLC6A4SLC6A3SLC6A2

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 1 patent. 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

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 1114/4885SLC6A4 3589/4885SLC6A3 2623/4885

“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.