SCHEMBL2882508

SCHEMBL2882508

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.52
CXCR3 P49682 12/20 0.51
SCN5A Q14524 1/20 0.49
CACNA1I Q9P0X4 1/20 0.49
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.43
CYP2D6 P10635 1/20 0.43
CACNA1H O95180 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
SCHEMBL2882511 1.00 KCNH2 (0.52) KCNH2CXCR3SCN5ACACNA1IKDM4E
SCHEMBL2882097 0.94 KCNH2 (0.57) KCNH2CXCR3SCN5ACACNA1IKDM4E
SCHEMBL2882096 0.94 KCNH2 (0.57) KCNH2CXCR3SCN5ACACNA1IKDM4E
SCHEMBL2882350 0.78 KCNH2 (0.52) KCNH2SCN5ACACNA1ICYP2D6CACNA1H
SCHEMBL2885033 0.76 P2RX7 (0.57) KCNH2SCN5ACACNA1ICACNA1H
SCHEMBL2890373 0.75 KCNH2 (0.88) KCNH2SCN5ACACNA1ICYP2D6CACNA1H
SCHEMBL2886760 0.73 KCNH2 (0.64) KCNH2SCN5ACACNA1ICYP2D6CACNA1H
SCHEMBL2881618 0.73 KCNH2 (0.56) KCNH2SCN5ACACNA1ICYP2D6CACNA1H
SCHEMBL13198181 0.73 KCNH2 (0.56) KCNH2SCN5ACACNA1ICYP2D6CACNA1H
SCHEMBL2889178 0.73 KCNH2 (0.73) KCNH2SCN5ACACNA1ICYP2D6CACNA1H

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 11 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

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 38/4885CXCR3 2614/4885SCN5A 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.