SCHEMBL2731966

SCHEMBL2731966

CNc1cc(CCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 6/20 0.56
KCNH2 Q12809 6/20 0.56
NSD2 O96028 1/20 0.45
GPR119 Q8TDV5 4/20 0.42
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
ACKR3 P25106 2/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GPR4 P46093 1/20 0.39

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 0.85 KCNJ1 (0.53) KCNJ1KCNH2NSD2GPR119ACKR3
SCHEMBL15205551 0.85 KCNH2 (0.61) KCNJ1KCNH2
SCHEMBL2731395 0.84 KCNJ1 (0.56) KCNJ1KCNH2NSD2GPR119CCNC
SCHEMBL15192461 0.84 KCNJ1 (0.56) KCNJ1KCNH2NSD2CHRM3
SCHEMBL2724589 0.81 KCNJ1 (0.45) KCNJ1KCNH2NSD2GPR119
SCHEMBL29121436 0.79 KCNH2 (0.54) KCNJ1KCNH2NSD2GPR119CCNC
SCHEMBL4842661 0.77 GPR119 (0.48) NSD2GPR119CCNCCDK8
SCHEMBL6822757 0.76 VEGFA (0.45) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL2850833 0.75 KDM1A (0.48) KCNH2GPR119ACKR3CHRM2CHRM4
SCHEMBL17444604 0.75 HRH3 (0.56) ACKR3CHRM2CHRM4CHRM1CHRM3

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 KCNJ1 2/4885KCNH2 16/4885NSD2 3480/4885

“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.