SCHEMBL16430403

SCHEMBL16430403

COc1cc(N2CC3(CCNCC3)CC2=O)ncc1C#N

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 12/20 0.53
PARP1 P09874 1/20 0.38
TNK2 Q07912 1/20 0.38
TNK1 Q13470 1/20 0.38
GRM5 P41594 1/20 0.38
RET P07949 2/20 0.36
KCNH2 Q12809 1/20 0.36
IDH1 O75874 3/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL16430239 0.83 KCNJ1 (0.55) KCNJ1PARP1TNK2TNK1
SCHEMBL16430170 0.82 KCNJ1 (0.52) KCNJ1PARP1TNK2TNK1RET
SCHEMBL16430760 0.81 KCNJ1 (0.52) KCNJ1ACACBACACA
SCHEMBL16430145 0.80 KCNJ1 (0.54) KCNJ1PARP1TNK2TNK1GRM5
SCHEMBL16430499 0.80 KCNJ1 (0.55) KCNJ1PARP1TNK2TNK1RET
SCHEMBL16430797 0.79 KCNJ1 (0.51) KCNJ1PARP1TNK2TNK1RET
SCHEMBL16430735 0.76 GRM5 (0.59) KCNJ1GRM5KCNH2ACACA
SCHEMBL23560759 0.73 CHRNB2 (0.47) KCNJ1PARP1TNK2TNK1RET
SCHEMBL16430502 0.72 KCNJ1 (0.45) KCNJ1PARP1TNK2TNK1RET
SCHEMBL20574743 0.72 KCNJ1 (0.39) KCNJ1PARP1TNK2TNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027625-B1 SPIRO-FUSED DERIVATIVES OF PIPERIDINE USEFUL FOR THE TREATMENT OF INTER ALIA HYPERTENSION AND ACUTE OR CHRONIC HEART FAILURE MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
EP-3027625-B1 SPIRO-FUSED DERIVATIVES OF PIPERIDINE USEFUL FOR THE TREATMENT OF INTER ALIA HYPERTENSION AND ACUTE OR CHRONIC HEART FAILURE MERCK SHARP & DOHME (US) 2018-05-30 EP disclosed
US-9751881-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-05 US disclosed
US-9751881-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-05 US disclosed
US-9751881-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2017-09-05 US disclosed
US-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
US-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
US-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME CORP. (US) 2016-07-21 US disclosed
EP-3027625-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2016-06-08 EP disclosed
WO-2015017305-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP (US) 2015-02-05 WO disclosed
WO-2015017305-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP (US) 2015-02-05 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 (1 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-20160207922-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 KCNJ1 2/4885PARP1 4187/4885TNK2 734/4885

“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.