SCHEMBL2885023

SCHEMBL2885023

COc1cc(Cl)cc(C(=O)NCC2(F)CCN(C[C@H](O)C(C)(C)C)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 16/20 0.59
CACNA1I Q9P0X4 3/20 0.56
SCN5A Q14524 1/20 0.47
CACNA1G O43497 2/20 0.45
CACNA1H O95180 3/20 0.44
CYP2D6 P10635 2/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL2885025 1.00 KCNH2 (0.59) KCNH2CACNA1ISCN5ACACNA1GCACNA1H
SCHEMBL2887666 1.00 KCNH2 (0.59) KCNH2CACNA1ISCN5ACACNA1GCACNA1H
SCHEMBL2882887 0.91 KCNH2 (0.70) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2882293 0.91 KCNH2 (0.70) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL2882882 0.91 KCNH2 (0.70) KCNH2CACNA1ISCN5ACACNA1HCYP2D6
SCHEMBL14694006 0.85 KCNH2 (0.52) KCNH2CACNA1ICACNA1GCACNA1HCYP2D6
SCHEMBL2885634 0.85 KCNH2 (0.62) KCNH2CACNA1ISCN5ACACNA1GCACNA1H
SCHEMBL2889559 0.85 KCNH2 (0.83) KCNH2CACNA1ISCN5ACACNA1GCACNA1H
SCHEMBL2882484 0.85 KCNH2 (0.61) KCNH2CACNA1ISCN5ACACNA1GCACNA1H
SCHEMBL2886862 0.80 KCNH2 (0.58) KCNH2CACNA1ISCN5ACACNA1GCACNA1H

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 14 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
EP-1901746-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-26 EP disclosed
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO 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.