SCHEMBL21243688

SCHEMBL21243688

Cc1cc(-n2ncc(CCO)n2)ncc1C#N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 18/20 0.47
KCNH2 Q12809 2/20 0.43
ABCB11 O95342 1/20 0.42
POU2F2 P09086 1/20 0.42
POU2F1 P14859 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL30445113 0.90 KCNJ1 (0.48) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL20168335 0.90 KCNJ1 (0.48) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL24135397 0.85 KCNJ1 (0.47) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL20176738 0.79 KCNJ1 (0.41) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL23586685 0.76 KCNJ1 (0.57) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL30444639 0.76 KCNJ1 (0.52) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL20168367 0.76 KCNJ1 (0.52) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL28362242 0.76 KCNJ1 (0.43) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL20168011 0.75 KCNJ1 (0.42) KCNJ1KCNH2ABCB11POU2F2POU2F1
SCHEMBL21266181 0.75 KCNJ1 (0.42) KCNJ1KCNH2ABCB11POU2F2POU2F1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 85/4885KCNH2 53/4885ABCB11 690/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 KCNJ1 85/4885KCNH2 53/4885ABCB11 690/4885

“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.