SCHEMBL20177186

SCHEMBL20177186

N#Cc1cn(-c2ccc(C=O)cn2)nc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 10/20 0.47
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RET P07949 2/20 0.31
PANK3 Q9H999 1/20 0.31
MAT2A P31153 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL20177107 0.84 KCNJ1 (0.47) KCNJ1KDM4EALDH1A1MAT2AELANE
SCHEMBL24409349 0.81 KCNJ1 (0.45) KCNJ1ALDH1A1
SCHEMBL20176967 0.78 KCNJ1 (0.45) KCNJ1KDM4ERET
SCHEMBL20168543 0.77 KCNJ1 (0.46) KCNJ1KDM4EALDH1A1
SCHEMBL20574782 0.74 KCNJ1 (0.48) KCNJ1ALDH1A1RET
SCHEMBL30444286 0.74 KCNJ1 (0.48) KCNJ1ALDH1A1RET
SCHEMBL24135531 0.73 KCNJ1 (0.44) KCNJ1KDM4EALDH1A1
SCHEMBL20168186 0.72 KCNJ1 (0.46) KCNJ1KDM4EALDH1A1
SCHEMBL24409077 0.71 KCNJ1 (0.48) KCNJ1KDM4EALDH1A1
SCHEMBL20574639 0.71 KCNJ1 (0.48) KCNJ1

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
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-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
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 KCNJ1 85/4885KDM4E 3724/4885ALDH1A1 2047/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 KCNJ1 85/4885KDM4E 3724/4885ALDH1A1 2047/4885

“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.