SCHEMBL2887401

SCHEMBL2887401

CC(C)(C)CCN1CCC(F)(CNC(=O)c2cc(Cl)cc(OCF)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.80
CACNA1I Q9P0X4 10/20 0.53
CACNA1G O43497 1/20 0.48
CHRM2 P08172 1/20 0.48
HRH1 P35367 1/20 0.48
HTR4 Q13639 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN5A Q14524 1/20 0.47
CACNA1H O95180 3/20 0.46
CYP2D6 P10635 2/20 0.46

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
SCHEMBL2889559 0.90 KCNH2 (0.83) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL2887424 0.90 KCNH2 (0.66) KCNH2CACNA1ICACNA1G
SCHEMBL2885977 0.89 KCNH2 (1.00) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL2885545 0.85 KCNH2 (0.88) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL2886970 0.85 KCNH2 (0.88) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL2890373 0.85 KCNH2 (0.88) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL5068912 0.84 KCNH2 (0.56) KCNH2CACNA1ICACNA1GCHRM2HRH1
SCHEMBL2888243 0.83 KCNH2 (0.73) KCNH2CACNA1ICACNA1G
SCHEMBL2885342 0.82 KCNH2 (0.63) KCNH2CACNA1ICACNA1G
SCHEMBL2882537 0.81 KCNH2 (0.80) KCNH2CACNA1ICACNA1GCHRM2HRH1

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
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
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
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 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-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists CACNA1G, CACNA1I, CACNA1H KCNH2 38/4885CACNA1I 2/4885CACNA1G 1/4885

“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.