SCHEMBL21144447

SCHEMBL21144447

C=C1CN(C(=O)OC(C)(C)C)CC1Oc1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.45
S1PR3 Q99500 1/20 0.38
ALDH1A1 P00352 1/20 0.38
USP30 Q70CQ3 2/20 0.38
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
ESR2 Q92731 1/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL21144449 1.00 GPR119 (0.45) GPR119S1PR3ALDH1A1USP30DPP4
SCHEMBL29353265 1.00 GPR119 (0.45) GPR119S1PR3ALDH1A1USP30DPP4
SCHEMBL28932741 0.87 GPR119 (0.47) GPR119
SCHEMBL28932739 0.87 GPR119 (0.47) GPR119
SCHEMBL21144435 0.85 MEN1 (0.45) GPR119ALDH1A1USP30ESR2
SCHEMBL21144434 0.85 MEN1 (0.45) GPR119ALDH1A1USP30ESR2
SCHEMBL31312460 0.81 GPR119 (0.55) GPR119S1PR3ALDH1A1USP30DPP4
SCHEMBL22266021 0.81 GPR119 (0.55) GPR119S1PR3ALDH1A1USP30DPP4
SCHEMBL21144390 0.81 GPR119 (0.37) GPR119ALDH1A1USP30ESR2HRH3
SCHEMBL21144391 0.81 GPR119 (0.37) GPR119ALDH1A1USP30ESR2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11229623-B2 TRPV4 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2022-01-25 US disclosed
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed
US-20200261411-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-08-20 US disclosed
US-10588891-B2 TRPV4 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-17 US disclosed
US-20190216774-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-18 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 (4 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-10588891-B2 TRPV4 antagonists TRPV4, TRPV5, TRPV2 GPR119 542/4885S1PR3 194/4885ALDH1A1 3265/4885
US-11229623-B2 TRPV4 antagonists TRPV4, TRPV5, TRPV2 GPR119 542/4885S1PR3 194/4885ALDH1A1 3265/4885
US-20200261411-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 GPR119 542/4885S1PR3 194/4885ALDH1A1 3265/4885
US-20190216774-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 GPR119 542/4885S1PR3 194/4885ALDH1A1 3265/4885

“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.