SCHEMBL21892964

SCHEMBL21892964

Cc1c2c(cc3c1CC3)CCC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
NLRP3 Q96P20 11/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD4 P21917 3/20 0.33
DRD2 P14416 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL21586529 0.95 MAPT (0.43) MAPTNLRP3MEN1KMT2ALMNA
SCHEMBL19272170 0.90 MEN1 (0.41) MAPTNLRP3MEN1KMT2ALMNA
SCHEMBL21892900 0.89 DRD2 (0.31) DRD4DRD2
SCHEMBL4888772 0.80 MAPT (0.37) MAPTNLRP3MEN1KMT2ALMNA
SCHEMBL22280260 0.78 MEN1 (0.41) NLRP3MEN1KMT2AALDH1A1
SCHEMBL20681022 0.75 ACHE (0.39) MAPTNLRP3MEN1KMT2ALMNA
SCHEMBL30042078 0.75 NLRP3 (0.36) MAPTNLRP3LMNAATMSMN1; SMN2
SCHEMBL30498486 0.75 ACHE (0.39) MAPTNLRP3MEN1KMT2ALMNA
SCHEMBL20681027 0.75 MAPT (0.33) MAPTNLRP3LMNAATMSMN1; SMN2
SCHEMBL24960169 0.75 MAPT (0.45) MAPTNLRP3LMNAATMSMN1; SMN2

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-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2020-03-19 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-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPT 2020/4885NLRP3 2/4885MEN1 3390/4885

“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.