SCHEMBL2886919

SCHEMBL2886919

COCC(C)(C)NC(=O)CN1CCC(F)(CNC(=O)c2cc(F)cc(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.59
KCNH2 Q12809 11/20 0.59
CACNA1I Q9P0X4 4/20 0.54
CACNA1G O43497 1/20 0.54
SCN5A Q14524 1/20 0.45
CYP2D6 P10635 2/20 0.42

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
SCHEMBL2887366 0.94 KCNH2 (0.66) CACNA1HKCNH2CACNA1ICACNA1GSCN5A
SCHEMBL2886862 0.90 KCNH2 (0.58) CACNA1HKCNH2CACNA1ICACNA1GSCN5A
SCHEMBL2881803 0.85 KCNH2 (0.50) CACNA1HKCNH2CACNA1G
SCHEMBL4276602 0.83 CACNA1I (0.79) CACNA1HKCNH2CACNA1ICACNA1GCYP2D6
SCHEMBL2888815 0.83 KCNH2 (0.73) CACNA1HKCNH2CACNA1ICACNA1GSCN5A
SCHEMBL2890373 0.81 KCNH2 (0.88) CACNA1HKCNH2CACNA1ICACNA1GSCN5A
SCHEMBL2885634 0.81 KCNH2 (0.62) CACNA1HKCNH2CACNA1ICACNA1GSCN5A
SCHEMBL13207701 0.79 KCNH2 (0.65) CACNA1HKCNH2CACNA1ICACNA1GSCN5A
SCHEMBL13207209 0.79 KCNH2 (0.64) CACNA1HKCNH2CACNA1ICACNA1GSCN5A
SCHEMBL2889091 0.79 KCNH2 (0.67) CACNA1HKCNH2CACNA1ICACNA1GSCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US claimed
EP-1901746-B1 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2013-02-20 EP claimed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 US claimed
EP-1901746-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-26 EP claimed
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
EP-1901746-B1 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2013-02-20 EP disclosed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 US 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-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists CACNA1G, CACNA1I, CACNA1H CACNA1H 3/4885KCNH2 38/4885CACNA1I 2/4885

“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.