SCHEMBL2882393

SCHEMBL2882393

CC(C)(C)CCN1CCC(F)(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.60
CACNA1I Q9P0X4 2/20 0.55
DRD2 P14416 6/20 0.44
HSD11B1 P28845 1/20 0.43
HDAC4 P56524 1/20 0.43
LMNA P02545 1/20 0.42
TRPA1 O75762 3/20 0.42
DRD3 P35462 1/20 0.42
FFAR2 O15552 2/20 0.41
OPRM1 P35372 3/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD4 P21917 1/20 0.41
HRH2 P25021 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
SCN5A Q14524 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL2889689 0.98 KCNH2 (0.60) KCNH2CACNA1IDRD2HSD11B1HDAC4
SCHEMBL2884528 0.97 KCNH2 (0.59) KCNH2CACNA1IDRD2HSD11B1HDAC4
SCHEMBL2887276 0.96 KCNH2 (0.62) KCNH2CACNA1IDRD2HSD11B1LMNA
SCHEMBL2881211 0.91 KCNH2 (0.57) KCNH2CACNA1IDRD2LMNATRPA1
SCHEMBL2881209 0.91 KCNH2 (0.57) KCNH2CACNA1IDRD2LMNATRPA1
SCHEMBL2880982 0.89 KCNH2 (0.69) KCNH2CACNA1IHSD11B1LMNATRPA1
SCHEMBL2887146 0.89 KCNH2 (0.58) KCNH2CACNA1IHSD11B1LMNAADRA1A
SCHEMBL2885955 0.88 KCNH2 (0.71) KCNH2CACNA1IHSD11B1LMNATRPA1
SCHEMBL2889298 0.88 KCNH2 (0.60) KCNH2CACNA1IHSD11B1LMNAADRA1A
SCHEMBL2884512 0.88 KCNH2 (0.56) KCNH2CACNA1IHDAC4LMNAADRA1A

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 2/4885DRD2 207/4885

“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.