SCHEMBL2726359

SCHEMBL2726359

CSc1cc(CCN2CCN(C(=O)O)CC2)ccc1C#N

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.61
KCNJ1 P48048 14/20 0.61
SIGMAR1 Q99720 2/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL2731395 0.86 KCNJ1 (0.56) KCNH2KCNJ1SIGMAR1DRD4HTR2A
SCHEMBL2731394 0.83 KCNJ1 (0.52) KCNH2KCNJ1
SCHEMBL2724944 0.82 KCNH2 (0.59) KCNH2KCNJ1SIGMAR1DRD4SLC6A2
SCHEMBL15205551 0.81 KCNH2 (0.61) KCNH2KCNJ1SIGMAR1DRD4SLC6A2
SCHEMBL2722709 0.81 KCNH2 (0.60) KCNH2KCNJ1SIGMAR1SLC6A2SLC6A4
SCHEMBL15206325 0.76 KCNJ1 (0.47) KCNH2KCNJ1SIGMAR1DRD4SLC6A2
SCHEMBL10234055 0.76 KCNJ1 (1.00) KCNH2KCNJ1
SCHEMBL2927968 0.71 KDM4E (0.53) MEN1KMT2A
SCHEMBL2723325 0.71 KCNJ1 (0.53) KCNH2KCNJ1SIGMAR1DRD4SLC6A2
SCHEMBL15192461 0.70 KCNJ1 (0.56) KCNH2KCNJ1

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
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 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-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 KCNH2 16/4885KCNJ1 2/4885SIGMAR1 1342/4885

“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.