SCHEMBL20872894

SCHEMBL20872894

COc1cc(C(=O)NC2CCN(C(=O)O)CC2)ncc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ1 P48048 2/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ PRKAA2 P54646 8/20 0.43
▸ PRKAB2 O43741 6/20 0.43
▸ PRKAG1 P54619 6/20 0.43
▸ PRKAA1 Q13131 6/20 0.43
▸ PRKAG3 Q9UGI9 6/20 0.43
▸ PRKAG2 Q9UGJ0 6/20 0.43
▸ PRKAB1 Q9Y478 6/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ HPGDS O60760 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ AR P10275 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40

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
SCHEMBL19473769 0.87 NSD2 (0.52) KCNJ1KCNH2USP30MEN1KMT2A
SCHEMBL19639844 0.85 KCNJ1 (0.45) KCNJ1KCNH2PRKAA2PRKAB2PRKAG1
SCHEMBL19457714 0.83 KCNJ1 (0.49) KCNJ1KCNH2HPGDSNSD2LRRK2
SCHEMBL19457902 0.83 HPGDS (0.42) KCNJ1KCNH2HPGDSKDM4EMEN1
SCHEMBL19457858 0.82 KCNJ1 (0.48) KCNJ1KCNH2USP30MEN1KMT2A
SCHEMBL19457848 0.77 KCNJ1 (0.53) KCNJ1KCNH2USP30MAPTNSD2
SCHEMBL19473757 0.76 USP30 (0.46) KCNJ1KCNH2USP30MEN1KMT2A
SCHEMBL19457708 0.75 USP30 (0.45) KCNJ1KCNH2USP30MEN1KMT2A
SCHEMBL20985108 0.74 KCNJ1 (0.40) KCNJ1KCNH2PRKAA2PRKAB2PRKAG1
SCHEMBL22890304 0.74 HPGD (0.43) KDM4ELRRK2

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-11059810-B2 Pharmaceutically acceptable salt as renal outer medullary potassium channel inhibitor JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-07-13 — — US disclosed
US-20200123135-A1 PHARMACEUTICALLY ACCEPTABLE SALT AS RENAL OUTER MEDULLARY POTASSIUM CHANNEL INHIBITOR JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-04-23 — — US disclosed
EP-3466945-A1 PHARMACEUTICALLY ACCEPTABLE SALT AS RENAL OUTER MEDULLARY POTASSIUM CHANNEL INHIBITOR Jiangsu Hengrui Medicine Co., Ltd. (CN) 2019-04-10 — — 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-11059810-B2 Pharmaceutically acceptable salt as renal outer medullary potassium channel inhibitor KCNK10, CASK, KCNN2 KCNJ1 6/4885KCNH2 20/4885PRKAA2 1329/4885
US-20200123135-A1 PHARMACEUTICALLY ACCEPTABLE SALT AS RENAL OUTER MEDULLARY POTASSIUM CHANNEL INHIBITOR KCNK10, CASK, KCNN2 KCNJ1 6/4885KCNH2 20/4885PRKAA2 1329/4885

“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.

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