SCHEMBL30162064

SCHEMBL30162064

Nc1c2c(nc(C(F)(F)F)c1-c1ccccc1F)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.46
BCHE P06276 9/20 0.43
GRIN1 Q05586 6/20 0.40
GRIN2A Q12879 6/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
ABCC4 O15439 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
APP P05067 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
SCHEMBL22021219 1.00 ACHE (0.46) ACHEBCHEGRIN1GRIN2AHSD17B10
SCHEMBL22020129 0.82 ACHE (0.54) ACHEBCHEGRIN1GRIN2AHSD17B10
SCHEMBL30162655 0.82 ACHE (0.54) ACHEBCHEGRIN1GRIN2AHSD17B10
SCHEMBL21963395 0.78 KDM4E (0.52) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL21963085 0.78 ACHE (0.42) ACHEBCHEGRIN1GRIN2AKDM4E
SCHEMBL30162742 0.77 ACHE (0.47) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL22021220 0.77 ACHE (0.47) ACHEBCHEGRIN1GRIN2AALDH1A1
SCHEMBL30162468 0.73 MAPT (0.37) BCHETSHRALDH1A1KDM4EAPP
SCHEMBL21963214 0.70 ACHE (0.52) ACHEBCHEGRIN1GRIN2AHSD17B10
SCHEMBL30162391 0.70 ACHE (0.52) ACHEBCHEGRIN1GRIN2AHSD17B10

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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 ACHE 4177/4885BCHE 4143/4885GRIN1 1296/4885

“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.