SCHEMBL2881946

SCHEMBL2881946

O=C(NCC1(F)CCN(CC23CC4CC(CC(C4)C2)C3)CC1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.65
KCNH2 Q12809 7/20 0.61
SCN5A Q14524 1/20 0.57
CACNA1I Q9P0X4 1/20 0.57
CACNA1H O95180 2/20 0.42
CYP2D6 P10635 2/20 0.42
CCKBR P32239 1/20 0.42
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41

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
SCHEMBL2885033 0.94 P2RX7 (0.57) P2RX7KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL14708768 0.83 P2RX7 (0.56) P2RX7KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL2889178 0.80 KCNH2 (0.73) P2RX7KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL2885705 0.80 KCNH2 (0.73) P2RX7KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL7569576 0.80 P2RX7 (1.00) P2RX7
SCHEMBL2887799 0.79 KCNH2 (0.79) P2RX7KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL2888792 0.78 KCNH2 (0.70) P2RX7KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL2885541 0.78 KCNH2 (0.70) P2RX7KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL2881952 0.77 KCNH2 (0.69) P2RX7KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL2889566 0.77 KCNH2 (0.79) P2RX7KCNH2SCN5ACACNA1ICACNA1H

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 13 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
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 P2RX7 205/4885KCNH2 38/4885SCN5A 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.