SCHEMBL2886924

SCHEMBL2886924

O=C(NCC1(F)CCN(CC2CC=CCC2)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.65
CACNA1I Q9P0X4 7/20 0.65
SCN5A Q14524 1/20 0.65
LMNA P02545 1/20 0.46
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CACNA1H O95180 2/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL2885705 0.88 KCNH2 (0.73) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL2885541 0.86 KCNH2 (0.70) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL2888792 0.86 KCNH2 (0.70) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL2888046 0.85 KCNH2 (0.69) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL2885697 0.83 KCNH2 (0.75) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL2882314 0.82 KCNH2 (0.73) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL2888295 0.79 KCNH2 (1.00) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL20328171 0.79 KCNH2 (1.00) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL5072471 0.78 KCNH2 (0.70) KCNH2CACNA1ISCN5AP2RX7CACNA1H
SCHEMBL2889178 0.78 KCNH2 (0.73) KCNH2CACNA1ISCN5AP2RX7CACNA1H

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
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.