SCHEMBL3514229

SCHEMBL3514229

COc1cc(F)cc(C(=O)NC[C@H]2CCN(CCC(C)(C)C)C[C@H]2F)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 10/20 0.70
KCNH2 Q12809 8/20 0.70
CACNA1G O43497 2/20 0.70
CHRM2 P08172 1/20 0.70
HRH1 P35367 1/20 0.70
HTR4 Q13639 1/20 0.70
CACNA1C Q13936 1/20 0.70
CACNA1H O95180 4/20 0.43
MAPT P10636 1/20 0.41
MCHR1 Q99705 1/20 0.41
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13168083 0.94 CACNA1I (0.75) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3827189 0.94 CACNA1I (0.75) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3516193 0.94 CACNA1I (0.75) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3515933 0.91 CACNA1I (0.79) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL8245108 0.91 CACNA1I (0.79) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL8247891 0.91 CACNA1I (0.85) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3517665 0.91 CACNA1I (0.70) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3830482 0.91 CACNA1I (0.70) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL8249420 0.90 CACNA1I (0.69) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3516275 0.90 CACNA1I (0.69) CACNA1IKCNH2CACNA1GCHRM2HRH1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222387-A1 3-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. 2010-09-02 US claimed
EP-1896414-A4 3-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO INC (US) 2009-09-09 EP claimed
EP-1896414-A2 3-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-12 EP claimed
WO-2007002361-A2 3-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20100222387-A1 3-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. 2010-09-02 US disclosed
US-20100222387-A1 3-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. 2010-09-02 US disclosed
US-20100222387-A1 3-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. 2010-09-02 US disclosed
WO-2007002361-A2 3-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-20100222387-A1 3-Fluoro-Piperidine T-Type Calcium Channel Antagonists CACNA1G, CACNA1I, CACNA1H CACNA1I 2/4885KCNH2 35/4885CACNA1G 1/4885

“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.