SCHEMBL3514798

SCHEMBL3514798

CC(C)(C)CCN1CCC(CNC(=O)c2cccc(Br)c2)C(F)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 8/20 0.69
KCNH2 Q12809 6/20 0.69
CACNA1G O43497 1/20 0.69
CHRM2 P08172 1/20 0.69
HRH1 P35367 1/20 0.69
HTR4 Q13639 1/20 0.69
CACNA1C Q13936 1/20 0.69
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CCR2 P41597 2/20 0.44
HPGD P15428 1/20 0.44
CACNA1H O95180 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53BP1 Q12888 1/20 0.42
NLRP3 Q96P20 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL8237459 1.00 CACNA1I (0.69) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3515753 0.90 CACNA1I (0.78) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL13168100 0.90 CACNA1I (0.78) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3515940 0.89 CACNA1I (0.71) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL13168110 0.89 CACNA1I (0.71) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL8249505 0.89 KCNH2 (0.82) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3513666 0.89 KCNH2 (0.82) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL8246635 0.88 KCNH2 (0.68) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL3514721 0.87 KCNH2 (0.67) CACNA1IKCNH2CACNA1GCHRM2HRH1
SCHEMBL13168104 0.87 CACNA1I (0.67) 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 2 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
US-20100222387-A1 3-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME CORP. 2010-09-02 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-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.