SCHEMBL21962259

SCHEMBL21962259

CN(Cc1ccc(Br)cc1)CC(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 9/20 0.53
▸ MAOB P27338 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.42
▸ CXCR3 P49682 1/20 0.42
▸ LSS P48449 2/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CTSK P43235 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 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
SCHEMBL12749574 0.82 PYCR1 (0.52) PYCR1TAAR1MEN1KMT2ALMNA
SCHEMBL15128047 0.81 PYCR1 (0.67) PYCR1MAOBKDM4EALDH1A1TAAR1
SCHEMBL1009789 0.81 PYCR1 (0.41) PYCR1MAOBKDM4EALDH1A1CXCR3
SCHEMBL1472497 0.81 NR1I2 (0.42) PYCR1MAOBKDM4EALDH1A1TSHR
SCHEMBL4632355 0.81 PYCR1 (0.41) PYCR1MAOBKDM4EALDH1A1TAAR1
SCHEMBL23032284 0.80 ALDH1A1 (0.52) PYCR1MAOBKDM4EALDH1A1TSHR
Hydrochloric Acid SCHEMBL1472490 0.79 PYCR1 (0.40) PYCR1MAOBKDM4EALDH1A1CXCR3
Hydrochloric Acid SCHEMBL25237515 0.78 ALDH1A1 (0.52) PYCR1MAOBKDM4EALDH1A1TSHR
SCHEMBL1009445 0.77 PYCR1 (0.38) PYCR1MAOBKDM4EALDH1A1TSHR
SCHEMBL4631973 0.77 CYP2A6 (0.46) PYCR1MAOBLSS

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
EP-3880659-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2024-01-03 — — EP disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 — — US disclosed
EP-3880659-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 — — EP 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-2020102576-A1 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 PYCR1 1276/4885MAOB 2753/4885KDM4E 4486/4885

“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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