SCHEMBL22016160

SCHEMBL22016160

CPn1c(CN2CCCC2=O)nc2cnc3cc(Br)ccc3c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 2/20 0.37
▸ GABRB3 P28472 2/20 0.37
▸ GABRA5 P31644 2/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ NLRP3 Q96P20 5/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ GRM2 Q14416 3/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ F10 P00742 1/20 0.31
▸ CASK O14936 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL30842213 0.79 KCNH2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL20741495 0.79 KCNH2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3862390 0.73 ALDH1A1 (0.41) KMT2AMAPK1CASK
SCHEMBL20762209 0.71 LMNA (0.34) NLRP3
SCHEMBL21566299 0.69 KCNH2 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL26862594 0.67 NLRP3 (0.59) NLRP3
SCHEMBL20969995 0.67 TLR8 (0.35) —
SCHEMBL3872563 0.66 ALDH1A1 (0.39) KMT2AMAPK1CASK
SCHEMBL21550561 0.66 KCNH2 (0.39) NLRP3KCNH2KMT2AMAPK1ACACB
SCHEMBL20475982 0.65 NLRP3 (0.54) NLRP3KCNH2

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-20200157096-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 — — 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-20200157096-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 GABRG2 1034/4885GABRB3 1588/4885GABRA5 1319/4885

“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.

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