SCHEMBL18378490

SCHEMBL18378490

Cc1c2c(cc3c1OCC3)CCC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
PARP1 P09874 1/20 0.33
NLRP3 Q96P20 4/20 0.31
CYP2A6 P11509 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL13021641 0.82 PARP1 (0.40) PARP1CYP2A6PTGS1PTGS2
SCHEMBL22010905 0.78 PARP1 (0.33) PARP1
SCHEMBL18007608 0.78 PARP1 (0.37) PARP1
SCHEMBL19869242 0.77 NLRP3 (0.33) PARP1NLRP3
SCHEMBL21892961 0.77 MAPT (0.38) MAPTPARP1NLRP3
SCHEMBL24295490 0.77 PTGS1 (0.33) PARP1NLRP3PTGS1PTGS2
SCHEMBL21586529 0.77 MAPT (0.43) MAPTNLRP3DRD2DRD4
SCHEMBL10791485 0.76 PARP1 (0.37) PARP1CYP2A6PTGS1PTGS2
SCHEMBL18029588 0.76 PARP1 (0.34) PARP1CYP2A6DRD2PTGS1PTGS2
SCHEMBL18029587 0.74 NLRP3 (0.33) MAPTNLRP3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed
WO-2016131098-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2016-08-25 WO 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPT 2094/4885PARP1 2052/4885NLRP3 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.