SCHEMBL21962081

SCHEMBL21962081

COC(=O)Cc1c(-c2ccnc(OC)c2)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 6/20 0.46
LPAR1 Q92633 2/20 0.42
IDO1 P14902 1/20 0.42
CNR1 P21554 1/20 0.41
WNT3A P56704 1/20 0.40
CYP3A4 P08684 1/20 0.40
EGLN1 Q9GZT9 3/20 0.39
CTSA P10619 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
ACVR2A P27037 1/20 0.38
TGFBR2 P37173 1/20 0.38

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
SCHEMBL21962143 0.90 NLRP3 (0.45) NLRP3LPAR1IDO1CNR1WNT3A
SCHEMBL28634299 0.89 NLRP3 (0.44) NLRP3LPAR1IDO1CNR1WNT3A
SCHEMBL21962099 0.89 NLRP3 (0.44) NLRP3LPAR1IDO1CNR1WNT3A
SCHEMBL29691431 0.86 ROCK2 (0.41) NLRP3LPAR1CYP3A4CTSA
SCHEMBL23012385 0.86 ROCK2 (0.41) NLRP3LPAR1CYP3A4CTSA
SCHEMBL22014327 0.83 NLRP3 (0.42) NLRP3IDO1ACVR2ATGFBR2
SCHEMBL21962108 0.81 PKN1 (0.41) NLRP3IDO1CNR1WNT3ACYP3A4
SCHEMBL25067031 0.80 FFAR1 (0.39) NLRP3LPAR1WNT3ACTSA
SCHEMBL29757378 0.79 ROCK2 (0.36) NLRP3LPAR1CYP3A4
SCHEMBL22827690 0.78 NLRP3 (0.57) NLRP3LPAR1IDO1CNR1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885LPAR1 242/4885IDO1 1613/4885

“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.