SCHEMBL22729342

SCHEMBL22729342

O=C(O)NCCN1CC[C@@H](F)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 2/20 0.39
CYP1A2 P05177 2/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC6A4 P31645 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CCR5 P51681 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
SCHEMBL18226089 1.00 POLR1A (0.39) POLR1ACYP1A2KCNH2SLC6A2SLC6A3
SCHEMBL18225540 0.87 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL167120 0.84 HRH2 (0.41) KCNH2SLC6A2SLC6A3HTTCA12
SCHEMBL167158 0.84 HRH2 (0.41) KCNH2SLC6A2SLC6A3HTTCA12
SCHEMBL167121 0.84 HRH2 (0.41) KCNH2SLC6A2SLC6A3HTTCA12
SCHEMBL24269614 0.84 NPSR1 (0.41) POLR1ACYP1A2KCNH2HTT
SCHEMBL18226717 0.82 BDKRB1 (0.46) CYP1A2HTTL3MBTL1
SCHEMBL167048 0.82 PDCD1 (0.40) SLC6A2SLC6A3HTTCA12CA1
SCHEMBL166996 0.82 PDCD1 (0.40) SLC6A2SLC6A3HTTCA12CA1
SCHEMBL166995 0.82 PDCD1 (0.40) SLC6A2SLC6A3HTTCA12CA1

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-11186602-B2 Glucopyranosyl derivative and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-11-30 US disclosed
US-20210054013-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-02-25 US disclosed
EP-3747892-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-12-09 EP 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-11186602-B2 Glucopyranosyl derivative and use thereof SLC5A1, SLC5A2, UGGT1 POLR1A 4853/4885CYP1A2 817/4885KCNH2 1735/4885
US-20210054013-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SLC5A1, SLC5A2, UGGT1 POLR1A 4853/4885CYP1A2 817/4885KCNH2 1735/4885

“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.