SCHEMBL2882887

SCHEMBL2882887

CC(C)(C)[C@@H](O)CN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.70
CACNA1I Q9P0X4 8/20 0.64
SCN5A Q14524 1/20 0.55
CACNA1H O95180 2/20 0.52
CYP2D6 P10635 2/20 0.52

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
SCHEMBL2882293 1.00 KCNH2 (0.70) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2882882 1.00 KCNH2 (0.70) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2887666 0.91 KCNH2 (0.59) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2885025 0.91 KCNH2 (0.59) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2885023 0.91 KCNH2 (0.59) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2881952 0.86 KCNH2 (0.69) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2889566 0.84 KCNH2 (0.79) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2889178 0.83 KCNH2 (0.73) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2884350 0.83 KCNH2 (0.65) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2888815 0.83 KCNH2 (0.73) KCNH2CACNA1ISCN5ACACNA1HCYP2D6

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 59 patents — showing the first 20. 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-7615656-B2 Cycloaliphatic polyepoxy compounds and preparation thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-10 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-2149457-B1 Inkjet recording method, inkjet recording system, and printed material FUJIFILM CORP (JP) 2013-04-10 EP disclosed
EP-1901746-B1 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2013-02-20 EP disclosed
EP-1829939-B1 ACTIVE RAY-CURABLE INKJET INK AND IMAGE-FORMING METHOD USING SAME KONICA MINOLTA MED & GRAPHIC (JP) 2012-10-17 EP disclosed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20050119362-A1 Actinic ray curable composition, actinic ray crable ink, image formation method employing it, and ink-jet recording apparatus KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-06-02 US disclosed
US-20040252171-A1 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2004-12-16 US disclosed
EP-1486526-A1 Oxetane compound, actinic ray curable composition, ink composition for ink jet recording, and image formation method Konica Minolta Medical & Graphic, Inc. (JP) 2004-12-15 EP disclosed
US-20040244641-A1 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2004-12-09 US disclosed
EP-1484370-A1 Photocurable ink, and image recording apparatus and image recording method employing the photocurable ink Konica Minolta Medical & Graphic, Inc. (JP) 2004-12-08 EP disclosed
US-20040241578-A1 Photocurable ink, and image recording apparatus and image recording method employing the photocurable ink KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2004-12-02 US disclosed
US-20040167315-A1 Active energy ray curable composition KONICA MINOLTA HOLDINGS, INC. (JP) 2004-08-26 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 (2 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
US-20040244641-A1 Active ray curable ink-jet composition, image forming method using the same, ink-jet recording apparatus, and triarylsulfonium salt compound JAK1, INO80, ROR1 KCNH2 1231/4885CACNA1I 961/4885SCN5A 2269/4885

“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.