SCHEMBL20176789

SCHEMBL20176789

CC(C)(C)OC(=O)NCc1ccc(-c2ccc(C#N)c(F)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.49
KCNJ1 P48048 5/20 0.48
GPR119 Q8TDV5 1/20 0.46
TRPA1 O75762 1/20 0.45
NSD2 O96028 1/20 0.44
CYP11B2 P19099 3/20 0.43
CYP11B1 P15538 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATR Q13535 1/20 0.43
GRM2 Q14416 1/20 0.42
AAK1 Q2M2I8 3/20 0.42
SLC22A12 Q96S37 1/20 0.42
CACNA1H O95180 1/20 0.41

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
SCHEMBL30751802 1.00 EGLN2 (0.49) EGLN2KCNJ1GPR119TRPA1NSD2
SCHEMBL21266172 0.87 TRPA1 (0.50) EGLN2KCNJ1GPR119TRPA1NSD2
SCHEMBL30751838 0.87 TRPA1 (0.50) EGLN2KCNJ1GPR119TRPA1NSD2
SCHEMBL21243580 0.85 KCNJ1 (0.52) KCNJ1CYP11B2CYP11B1SLC22A12
SCHEMBL6928939 0.85 TRPA1 (0.54) EGLN2TRPA1NSD2L3MBTL1GRM2
SCHEMBL21266103 0.82 KCNJ1 (0.48) EGLN2KCNJ1GPR119TRPA1CYP11B2
SCHEMBL30751806 0.82 KCNJ1 (0.48) EGLN2KCNJ1GPR119TRPA1CYP11B2
SCHEMBL21243550 0.81 KCNJ1 (0.52) KCNJ1CYP11B2CYP11B1
SCHEMBL30751808 0.81 KCNJ1 (0.52) KCNJ1CYP11B2CYP11B1
SCHEMBL23949875 0.81 NSD2 (0.42) EGLN2NSD2L3MBTL1ATRGRM2

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
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 EGLN2 4619/4885KCNJ1 85/4885GPR119 203/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 EGLN2 4619/4885KCNJ1 85/4885GPR119 203/4885

“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.