SCHEMBL2887449

SCHEMBL2887449

Cc1ccc(C2(C(=O)NCC3(F)CCN(CCC(C)(C)C)CC3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.55
CACNA1I Q9P0X4 3/20 0.52
ADRA1D P25100 3/20 0.43
ADRA1A P35348 3/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.37
ADRA1B P35368 2/20 0.37
DRD2 P14416 1/20 0.37
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNA3 P22001 1/20 0.35
OPRL1 P41146 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2887146 0.96 KCNH2 (0.58) KCNH2CACNA1IADRA1DADRA1AMEN1
SCHEMBL2889298 0.95 KCNH2 (0.60) KCNH2CACNA1IADRA1DADRA1AMEN1
SCHEMBL2887276 0.90 KCNH2 (0.62) KCNH2CACNA1IADRA1AMEN1KMT2A
SCHEMBL2880982 0.87 KCNH2 (0.69) KCNH2CACNA1IL3MBTL1OPRM1LMNA
SCHEMBL2885955 0.86 KCNH2 (0.71) KCNH2CACNA1IL3MBTL1OPRM1LMNA
SCHEMBL2889689 0.86 KCNH2 (0.60) KCNH2CACNA1IOPRM1DRD2OPRL1
SCHEMBL2882393 0.86 KCNH2 (0.60) KCNH2CACNA1IADRA1AOPRM1DRD2
SCHEMBL2884512 0.86 KCNH2 (0.56) KCNH2CACNA1IADRA1DADRA1AMEN1
SCHEMBL2884528 0.85 KCNH2 (0.59) KCNH2CACNA1IOPRM1DRD2OPRL1
SCHEMBL2881679 0.85 KCNH2 (0.58) KCNH2CACNA1IADRA1DADRA1AMEN1

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 2/4885ADRA1D 442/4885

“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.