SCHEMBL16430698

SCHEMBL16430698

CC(C)(C)C1CN(C(=O)O)CCC12CCN(c1ccc(C#N)cn1)CC2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 8/20 0.50
CHRM4 P08173 5/20 0.45
DPP4 P27487 1/20 0.45
CHRM2 P08172 2/20 0.43
CNR2 P34972 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
LCAT P04180 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
SCHEMBL17925061 0.78 PANK3 (0.42) PANK3CHRM4DPP4CHRM2CNR2
SCHEMBL21853959 0.78 PANK3 (0.48) PANK3CHRM4DPP4
SCHEMBL21853925 0.77 PANK3 (0.49) PANK3DPP4
SCHEMBL19748850 0.76 PANK3 (0.61) PANK3CHRM4DPP4CNR2
SCHEMBL16432851 0.76 KCNJ1 (0.48) PANK3
SCHEMBL21853983 0.75 TIPARP (0.46) PANK3
SCHEMBL16430700 0.74 RET (0.57) PANK3GPR119
SCHEMBL21853933 0.74 KCNJ1 (0.46) PANK3
SCHEMBL3084062 0.74 CYP2C9 (0.52)
SCHEMBL3554487 0.73 CHRM4 (0.51) PANK3CHRM4DPP4CHRM2CHRM5

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-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-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

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 PANK3 490/4885CHRM4 2709/4885DPP4 3098/4885

“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.