SCHEMBL2889910

SCHEMBL2889910

CCCCCC=CCCCN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.65
CACNA1I Q9P0X4 5/20 0.52
SCN5A Q14524 1/20 0.52
CACNA1H O95180 2/20 0.46
CYP2D6 P10635 2/20 0.46
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL2889905 1.00 KCNH2 (0.65) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2881082 0.93 KCNH2 (0.74) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2887362 0.92 KCNH2 (0.72) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2889162 0.91 KCNH2 (0.71) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2889871 0.91 KCNH2 (0.71) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2880635 0.85 KCNH2 (0.58) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2880639 0.85 KCNH2 (0.58) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2889711 0.85 KCNH2 (0.62) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2889712 0.85 KCNH2 (0.62) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2885804 0.82 KCNH2 (0.61) 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 9 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
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

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.