SCHEMBL23034600

SCHEMBL23034600

CCC/C=C\c1c(N)cccc1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.36
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ FAAH O00519 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GABRA2 P47869 1/20 0.33

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
SCHEMBL25801470 0.75 GABRA1 (0.40) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL21780673 0.73 GABRA1 (0.35) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL20350334 0.73 GABRA1 (0.35) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL27358538 0.72 CYP3A4 (0.40) GABRA1GABRG2GABRB3FAAHCA1
SCHEMBL4320084 0.71 GABRA1 (0.50) TLR8GABRA1GABRG2GABRB3FAAH
SCHEMBL24735493 0.71 TYMP (0.33) TLR8TYMP
SCHEMBL19386406 0.68 TLR8 (0.53) TLR8CYP1A2CYP3A4TSHRPTGS1
SCHEMBL4785063 0.68 TLR8 (0.53) TLR8CYP1A2CYP3A4TSHRPTGS1
SCHEMBL4785075 0.68 TLR8 (0.53) TLR8CYP1A2CYP3A4TSHRPTGS1
SCHEMBL20751711 0.68 GABRA1 (0.36) GABRA1GABRG2GABRB3FAAHCA1

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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2021-11-18 — — US disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 — — 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 (2 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-20210355103-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARN TLR8 4622/4885GABRA1 4446/4885GABRG2 2520/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TLR8 2296/4885GABRA1 1353/4885GABRG2 1027/4885

“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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