SCHEMBL23328328

SCHEMBL23328328

C[C@@H](NC(=O)Cc1ccc(C(C)(C)C)cc1)c1cnc(OCC(F)(F)F)cn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 4/20 0.62
CACNA1H O95180 8/20 0.59
CNR2 P34972 3/20 0.59
CACNA1G O43497 2/20 0.59
KCNH2 Q12809 1/20 0.59
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3036757 0.88 CACNA1I (0.76) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL3041292 0.88 CACNA1I (0.76) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL2137512 0.86 NR1H4 (0.45) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL2137503 0.86 NR1H4 (0.45) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL2137529 0.82 CACNA1I (0.50) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL2137544 0.82 CACNA1I (0.50) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL1060457 0.80 CACNA1I (0.82) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL12999615 0.80 CACNA1I (0.52) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL4370770 0.79 CACNA1I (0.77) CACNA1ICACNA1HCNR2CACNA1GKCNH2
SCHEMBL1063317 0.79 CACNA1I (0.77) CACNA1ICACNA1HCNR2CACNA1GKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF PRAXIS PREC MEDICINES INC (US) 2021-05-06 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-20210128537-A1 T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF CACNA1G, CACNA1H, CACNA1I CACNA1I 3/4885CACNA1H 2/4885CNR2 809/4885

“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.