SCHEMBL2887287

SCHEMBL2887287

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

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.76
CACNA1I Q9P0X4 11/20 0.49
SCN5A Q14524 1/20 0.43
GPR183 P32249 1/20 0.43
CACNA1H O95180 3/20 0.41
CYP2D6 P10635 2/20 0.41
CACNA1G O43497 1/20 0.41
CHRM2 P08172 1/20 0.41
HRH1 P35367 1/20 0.41
HTR4 Q13639 1/20 0.41
CACNA1C Q13936 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2887579 0.89 KCNH2 (0.67) KCNH2CACNA1IGPR183MEN1KMT2A
SCHEMBL2886093 0.87 KCNH2 (0.78) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2886618 0.87 KCNH2 (0.78) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2885977 0.86 KCNH2 (1.00) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2888243 0.84 KCNH2 (0.73) KCNH2CACNA1IGPR183CACNA1G
SCHEMBL13207680 0.83 KCNH2 (0.70) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2890373 0.83 KCNH2 (0.88) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2886970 0.83 KCNH2 (0.88) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2885545 0.83 KCNH2 (0.88) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2887647 0.82 KCNH2 (0.69) 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 11 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

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.