SCHEMBL2889555

SCHEMBL2889555

CC1(C)CC(CN2CCC(F)(CNC(=O)C3(c4ccc(Cl)cc4)CCCCC3)CC2)CCO1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.65
CACNA1I Q9P0X4 2/20 0.65
SCN5A Q14524 1/20 0.65
TRPA1 O75762 5/20 0.44
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD11B1 P28845 3/20 0.39
HDAC4 P56524 1/20 0.38
HTR4 Q13639 1/20 0.38
LMNA P02545 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL2886588 0.99 KCNH2 (0.66) KCNH2CACNA1ISCN5ATRPA1OPRM1
SCHEMBL2881719 0.97 KCNH2 (0.66) KCNH2CACNA1ISCN5ATRPA1OPRM1
SCHEMBL2887493 0.96 KCNH2 (0.68) KCNH2CACNA1ISCN5ATRPA1OPRM1
SCHEMBL2885981 0.92 KCNH2 (0.59) KCNH2CACNA1ISCN5ATRPA1OPRL1
SCHEMBL2887882 0.92 KCNH2 (0.59) KCNH2CACNA1ISCN5ATRPA1GRM2
SCHEMBL2887061 0.91 KCNH2 (0.59) KCNH2CACNA1ISCN5ATRPA1GRM2
SCHEMBL2884698 0.91 KCNH2 (0.59) KCNH2CACNA1ISCN5AOPRL1ALDH1A1
SCHEMBL2887351 0.91 KCNH2 (0.60) KCNH2CACNA1ISCN5AOPRM1OPRL1
SCHEMBL2889729 0.88 KCNH2 (0.61) KCNH2CACNA1ISCN5AGRM2HTR4
SCHEMBL2881451 0.85 KCNH2 (0.59) KCNH2CACNA1ISCN5AGRM2HDAC4

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
EP-1901746-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-26 EP claimed
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO 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

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.