SCHEMBL2881618

SCHEMBL2881618

CC1=C(CCN2CCC(F)(CNC(=O)c3cc(F)cc(Cl)c3)CC2)C(C)(C)CCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.56
CACNA1I Q9P0X4 2/20 0.47
SCN5A Q14524 1/20 0.47
CACNA1H O95180 5/20 0.41
CYP2D6 P10635 2/20 0.41
CACNA1G O43497 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP2 P50579 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL2888152 0.94 KCNH2 (0.63) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2882350 0.92 KCNH2 (0.52) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2886622 0.86 KCNH2 (0.58) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2890373 0.79 KCNH2 (0.88) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL3046035 0.78 KCNH2 (0.38) KCNH2CACNA1ISCN5ACACNA1HCACNA1G
SCHEMBL2887799 0.76 KCNH2 (0.79) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2881082 0.73 KCNH2 (0.74) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2882508 0.73 KCNH2 (0.52) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2882511 0.73 KCNH2 (0.52) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL13198181 0.73 KCNH2 (0.56) KCNH2CACNA1ISCN5ACACNA1HCYP2D6

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 2/4885SCN5A 122/4885

“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.