SCHEMBL2884698

SCHEMBL2884698

CC1(C)CC(CN2CCC(F)(CNC(=O)C3(c4ccccc4)CCCCC3)CC2)CCO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.59
CACNA1I Q9P0X4 2/20 0.59
SCN5A Q14524 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR4 Q13639 1/20 0.42
HTT P42858 1/20 0.40
OPRL1 P41146 1/20 0.40
TSHR P16473 1/20 0.39
HDAC4 P56524 2/20 0.38
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CHRM2 P08172 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
JAK2 O60674 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
SCHEMBL2887351 0.99 KCNH2 (0.60) KCNH2CACNA1ISCN5ASMN1; SMN2LMNA
SCHEMBL2885981 0.92 KCNH2 (0.59) KCNH2CACNA1ISCN5AHTR4OPRL1
SCHEMBL2887882 0.92 KCNH2 (0.59) KCNH2CACNA1ISCN5ASMN1; SMN2LMNA
SCHEMBL2889555 0.91 KCNH2 (0.65) KCNH2CACNA1ISCN5ALMNAHTR4
SCHEMBL2887061 0.91 KCNH2 (0.59) KCNH2CACNA1ISCN5ASMN1; SMN2LMNA
SCHEMBL2886588 0.90 KCNH2 (0.66) KCNH2CACNA1ISCN5ALMNAHTR4
SCHEMBL2889686 0.90 KCNH2 (0.58) KCNH2CACNA1ISCN5ASMN1; SMN2LMNA
SCHEMBL2881719 0.89 KCNH2 (0.66) KCNH2CACNA1ISCN5ASMN1; SMN2LMNA
SCHEMBL2889729 0.88 KCNH2 (0.61) KCNH2CACNA1ISCN5AL3MBTL1HTR4
SCHEMBL2887493 0.87 KCNH2 (0.68) KCNH2CACNA1ISCN5ASMN1; SMN2HTR4

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.