SCHEMBL21245908

SCHEMBL21245908

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.40
DRD2 P14416 6/20 0.40
DRD4 P21917 6/20 0.40
HTR1A P08908 4/20 0.40
CACNA1H O95180 5/20 0.37
CYP2D6 P10635 4/20 0.37
POLR1A O95602 2/20 0.36
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
CACNA1I Q9P0X4 2/20 0.34
CACNA1G O43497 1/20 0.34
CHRM2 P08172 1/20 0.34
HRH1 P35367 1/20 0.34
HTR4 Q13639 1/20 0.34
CACNA1C Q13936 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CCR3 P51677 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33

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
SCHEMBL21245909 1.00 KCNH2 (0.40) KCNH2DRD2DRD4HTR1ACACNA1H
Hydrochloric Acid SCHEMBL22729329 0.99 KCNH2 (0.39) KCNH2DRD2DRD4HTR1ACACNA1H
SCHEMBL26864631 0.88 DRD4 (0.49) KCNH2DRD2DRD4HTR1ACACNA1H
SCHEMBL24269614 0.80 NPSR1 (0.41) KCNH2CACNA1HCYP2D6POLR1ACYP1A2
SCHEMBL18233672 0.78 CACNA1H (0.49) DRD2CACNA1H
SCHEMBL18233674 0.78 CACNA1H (0.49) DRD2CACNA1H
SCHEMBL22754469 0.78 CACNA1H (0.49) DRD2CACNA1H
SCHEMBL22729342 0.78 POLR1A (0.39) KCNH2POLR1ACYP1A2HRH3
SCHEMBL21244056 0.78 CA12 (0.50) DRD2DRD4CYP2D6CYP1A2LMNA
SCHEMBL18226089 0.78 POLR1A (0.39) KCNH2POLR1ACYP1A2HRH3

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 7 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-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
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
EP-3747892-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-12-09 EP disclosed
WO-2019149178-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF 广东东阳光药业有限公司 2019-08-08 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-11186602-B2 Glucopyranosyl derivative and use thereof SLC5A1, SLC5A2, UGGT1 KCNH2 1735/4885DRD2 1655/4885DRD4 1803/4885
US-20210054013-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SLC5A1, SLC5A2, UGGT1 KCNH2 1735/4885DRD2 1655/4885DRD4 1803/4885

“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.