SCHEMBL2882096

SCHEMBL2882096

CC1(C)[C@H]2CC=C(CN3CCC(F)(CNC(=O)c4cc(Cl)cc(Cl)c4)CC3)[C@@H]1C2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.57
SCN5A Q14524 1/20 0.54
CACNA1I Q9P0X4 1/20 0.54
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CXCR3 P49682 10/20 0.47
MAPK1 P28482 1/20 0.47
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2882097 1.00 KCNH2 (0.57) KCNH2SCN5ACACNA1IKDM4ETSHR
SCHEMBL2882508 0.94 KCNH2 (0.52) KCNH2SCN5ACACNA1IKDM4ETSHR
SCHEMBL2882511 0.94 KCNH2 (0.52) KCNH2SCN5ACACNA1IKDM4ETSHR
SCHEMBL2889178 0.78 KCNH2 (0.73) KCNH2SCN5ACACNA1ICYP2D6
SCHEMBL2887799 0.77 KCNH2 (0.79) KCNH2SCN5ACACNA1ICYP2D6
SCHEMBL2886760 0.76 KCNH2 (0.64) KCNH2SCN5ACACNA1ICYP2D6
SCHEMBL2886622 0.76 KCNH2 (0.58) KCNH2SCN5ACACNA1ICYP2D6
SCHEMBL2889566 0.75 KCNH2 (0.79) KCNH2SCN5ACACNA1ICYP2D6
SCHEMBL2885705 0.75 KCNH2 (0.73) KCNH2SCN5ACACNA1ICYP2D6
SCHEMBL2881952 0.75 KCNH2 (0.69) KCNH2SCN5ACACNA1ITSHRCYP2D6

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 7 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
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

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 38/4885SCN5A 122/4885CACNA1I 2/4885

“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.