SCHEMBL23328121

SCHEMBL23328121

C[C@@H](NC(=O)Cc1ccc2cc[nH]c2c1)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 3/20 0.52
CACNA1G O43497 2/20 0.52
CACNA1H O95180 2/20 0.52
CNR2 P34972 1/20 0.52
KCNH2 Q12809 1/20 0.52
HTT P42858 1/20 0.46
ACACB O00763 5/20 0.45
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP17A1 P05093 1/20 0.43
NLRP3 Q96P20 2/20 0.43
SUCNR1 Q9BXA5 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PDE2A O00408 2/20 0.40
PRCP P42785 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
SCHEMBL3097144 0.87 CACNA1I (0.67) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL4296129 0.83 NLRP3 (0.56) CACNA1ICACNA1GCACNA1HHTTNLRP3
SCHEMBL3428055 0.78 CACNA1H (0.50) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3427134 0.75 MAOB (0.56) CACNA1ICACNA1GCACNA1HKCNH2HTT
SCHEMBL4300349 0.75 CHRNA7 (0.51) KCNH2NLRP3
SCHEMBL3090845 0.74 CACNA1I (0.50) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL3096368 0.73 CACNA1I (0.67) CACNA1ICACNA1GCACNA1HCNR2KCNH2
SCHEMBL9372318 0.72 NLRP3 (0.59) CACNA1ICACNA1GCACNA1HACACBALDH1A1
SCHEMBL3430896 0.72 NLRP3 (0.53) CACNA1ICACNA1GCACNA1HNLRP3
SCHEMBL3096617 0.72 CACNA1I (0.48) CACNA1ICACNA1GCACNA1HCNR2KCNH2

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 3/4885CACNA1G 1/4885CACNA1H 2/4885

“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.