SCHEMBL1948951

SCHEMBL1948951

C[C@@]1(COc2cc(F)ccc2CO)CO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
MAOB P27338 1/20 0.33
MGLL Q99685 4/20 0.32
CHRNA1 P02708 3/20 0.32
CHRNB1 P11230 3/20 0.32
CHRNB2 P17787 3/20 0.32
SLC6A2 P23975 3/20 0.32
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRNA4 P43681 3/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 1/20 0.32
CHRNG P07510 2/20 0.31
CHRND Q07001 2/20 0.31
BUB1 O43683 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL1948953 1.00 SLC5A1 (0.35) SLC5A1SLC5A2MAOBMGLLCHRNA1
SCHEMBL3145738 0.84 CXCL8 (0.39) MAOBMGLLFFAR4L3MBTL1
SCHEMBL3145731 0.84 CXCL8 (0.39) MAOBMGLLFFAR4L3MBTL1
SCHEMBL3144159 0.80 PDE4D (0.36) MAOBMGLLHDAC3HDAC1HDAC2
SCHEMBL3144157 0.80 PDE4D (0.36) MAOBMGLLHDAC3HDAC1HDAC2
SCHEMBL6211946 0.77 CCR1 (0.47) L3MBTL1ALDH1A1
SCHEMBL13486195 0.76 MGLL (0.34) MGLLL3MBTL1
SCHEMBL19859187 0.75 L3MBTL1 (0.42) SLC5A1SLC5A2FFAR4L3MBTL1ALDH1A1
SCHEMBL3204875 0.74 ALDH1A1 (0.50) L3MBTL1ALDH1A1HTTSMN1; SMN2
SCHEMBL3141666 0.72 TSHR (0.35) MGLLHDAC2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-06-09 US disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 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-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma CCR1, CCR5, CCR3 SLC5A1 2507/4885SLC5A2 3836/4885MAOB 1343/4885

“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.