SCHEMBL2724944

SCHEMBL2724944

N#Cc1ccc(CCN2CCN(C(=O)O)CC2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.59
KCNJ1 P48048 11/20 0.59
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
DRD4 P21917 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR1D P28221 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
HTR2B P41595 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DAO P14920 1/20 0.42
KDM1A O60341 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL2723325 0.83 KCNJ1 (0.53) KCNH2KCNJ1HTR2AHTR2CDRD4
SCHEMBL24493406 0.83 KCNJ1 (0.65) KCNH2KCNJ1TMEM97SIGMAR1
SCHEMBL15205551 0.82 KCNH2 (0.61) KCNH2KCNJ1HTR2AHTR2CDRD4
SCHEMBL2726359 0.82 KCNH2 (0.61) KCNH2KCNJ1HTR2AHTR2CDRD4
SCHEMBL15206325 0.82 KCNJ1 (0.47) KCNH2KCNJ1HTR2AHTR2CDRD4
SCHEMBL2728949 0.79 KCNH2 (0.58) KCNH2KCNJ1SLC6A2SLC6A4SIGMAR1
SCHEMBL10232432 0.78 KCNJ1 (0.67) KCNH2KCNJ1SIGMAR1
SCHEMBL4789120 0.77 DPP4 (0.57) HTR2B
SCHEMBL2548210 0.77 KCNH2 (0.57) KCNH2KCNJ1HTR2AHTR2CDRD4
SCHEMBL4549658 0.76 KCNH2 (0.74) KCNH2KCNJ1SLC6A4

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 2/4885HTR2A 3252/4885

“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.