SCHEMBL2889686

SCHEMBL2889686

CC1(C)CC(CN2CCC(F)(CNC(=O)C3(c4cccc(F)c4)CCCC3)CC2)CCO1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.58
CACNA1I Q9P0X4 2/20 0.58
SCN5A Q14524 1/20 0.58
CYP2C19 P33261 2/20 0.40
GRM2 Q14416 4/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR4 Q13639 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TACR3 P29371 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2887351 0.91 KCNH2 (0.60) KCNH2CACNA1ISCN5AHTR4JAK2
SCHEMBL2884698 0.90 KCNH2 (0.59) KCNH2CACNA1ISCN5ACYP2C19ALDH1A1
SCHEMBL2885981 0.89 KCNH2 (0.59) KCNH2CACNA1ISCN5AGRM2HTR4
SCHEMBL2887061 0.86 KCNH2 (0.59) KCNH2CACNA1ISCN5AGRM2HTR4
SCHEMBL2886588 0.86 KCNH2 (0.66) KCNH2CACNA1ISCN5ACYP2C19GRM2
SCHEMBL2887882 0.86 KCNH2 (0.59) KCNH2CACNA1ISCN5AGRM2HTR4
SCHEMBL2889555 0.85 KCNH2 (0.65) KCNH2CACNA1ISCN5AGRM2ALDH1A1
SCHEMBL2888236 0.85 KCNH2 (0.60) KCNH2CACNA1ISCN5AGRM2HTR4
SCHEMBL2887349 0.85 KCNH2 (0.60) KCNH2CACNA1ISCN5AGRM2HTR4
SCHEMBL2881719 0.84 KCNH2 (0.66) KCNH2CACNA1ISCN5AGRM2ALDH1A1

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 10 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

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.