SCHEMBL20161164

SCHEMBL20161164

O=C(O)C1CN(CCF)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 14/20 0.41
S1PR1 P21453 10/20 0.41
S1PR3 Q99500 2/20 0.36
S1PR4 O95977 1/20 0.36
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
GRK5 P34947 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL10180992 0.81 SLC6A1 (0.52) LMNA
SCHEMBL10180993 0.81 SLC6A1 (0.52) LMNA
SCHEMBL884034 0.79 S1PR5 (0.42) S1PR5S1PR1S1PR3S1PR4
SCHEMBL884032 0.79 S1PR5 (0.42) S1PR5S1PR1S1PR3S1PR4
SCHEMBL25262763 0.78 LTA4H (0.43) PLGPLATLMNA
SCHEMBL20139627 0.78 CASP1 (0.33) S1PR1
SCHEMBL11917621 0.77 SMN1; SMN2 (0.51) S1PR5S1PR1S1PR3S1PR4
SCHEMBL1362081 0.77 S1PR5 (0.41) S1PR5S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL28065130 0.77 SMN1; SMN2 (0.44) PLGPLATLMNA
SCHEMBL25024449 0.77 S1PR5 (0.40) S1PR5S1PR1S1PR3S1PR4GRK5

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-11180493-B2 SGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200071318-A1 SGC STIMULATORS TISENTO THERAPEUTICS INC. 2020-03-05 US disclosed
WO-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 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 (2 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-20200071318-A1 SGC STIMULATORS GUCY1A2, GMPS, PDE2A S1PR5 973/4885S1PR1 896/4885S1PR3 1217/4885
US-11180493-B2 SGC stimulators GUCY1A2, GMPS, PDE2A S1PR5 973/4885S1PR1 896/4885S1PR3 1217/4885

“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.