SCHEMBL3046035

SCHEMBL3046035

CC1=C(CC2CC(F)(CNC(=O)c3cc(F)cc(Cl)c3)CCN2)C(C)(C)CCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.38
CACNA1I Q9P0X4 2/20 0.38
SCN5A Q14524 1/20 0.38
CACNA1H O95180 6/20 0.37
P2RX7 Q99572 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CACNA1G O43497 1/20 0.33
GPR139 Q6DWJ6 1/20 0.32
TP53 P04637 1/20 0.30
WDR5 P61964 1/20 0.30

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
SCHEMBL2882350 0.78 KCNH2 (0.52) KCNH2CACNA1ISCN5ACACNA1HTAS1R3
SCHEMBL2881618 0.78 KCNH2 (0.56) KCNH2CACNA1ISCN5ACACNA1HTAS1R3
SCHEMBL2886622 0.72 KCNH2 (0.58) KCNH2CACNA1ISCN5ACACNA1HP2RX7
SCHEMBL2888152 0.72 KCNH2 (0.63) KCNH2CACNA1ISCN5ACACNA1HP2RX7
SCHEMBL5069097 0.69 CACNA1H (0.36) KCNH2CACNA1ISCN5ACACNA1HP2RX7
SCHEMBL5069616 0.63 KCNH2 (0.38) KCNH2CACNA1ISCN5ACACNA1HP2RX7
SCHEMBL14708790 0.63 KCNH2 (0.53) KCNH2CACNA1ISCN5ACACNA1HP2RX7
SCHEMBL2882508 0.62 KCNH2 (0.52) KCNH2CACNA1ISCN5ACACNA1H
SCHEMBL2882511 0.62 KCNH2 (0.52) KCNH2CACNA1ISCN5ACACNA1H
SCHEMBL2885033 0.62 P2RX7 (0.57) KCNH2CACNA1ISCN5ACACNA1HP2RX7

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-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 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 38/4885CACNA1I 2/4885SCN5A 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.