SCHEMBL21962078

SCHEMBL21962078

CC(C)(C)OC(=O)Cc1c(-c2ccccc2)ccc2c1CCC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
METAP2 P50579 2/20 0.38
UCHL1 P09936 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
CXCR2 P25025 3/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NLRP3 Q96P20 4/20 0.34
PTPN1 P18031 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL26835893 0.82 ALDH1A1 (0.42) MTNR1AMTNR1BMETAP2ALDH1A1MEN1
SCHEMBL21962077 0.82 RXRB (0.43) METAP2MEN1KMT2ATSHRRXRA
SCHEMBL22802398 0.81 KDM4E (0.39) MTNR1AMTNR1BMETAP2ALDH1A1MEN1
SCHEMBL23012413 0.80 NLRP3 (0.42) UCHL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29691325 0.80 NLRP3 (0.42) UCHL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29757351 0.80 NLRP3 (0.42) UCHL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22802385 0.80 NLRP3 (0.55) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL29492920 0.80 NLRP3 (0.55) MTNR1AMTNR1BALDH1A1MEN1KMT2A
SCHEMBL21962126 0.79 MEN1 (0.39) METAP2MEN1KMT2ATSHRRXRA
SCHEMBL22014435 0.79 POLB (0.36) METAP2ALDH1A1MEN1KMT2ATSHR

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 MTNR1A 1531/4885MTNR1B 1933/4885METAP2 145/4885

“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.