SCHEMBL21962432

SCHEMBL21962432

FC(F)CN1CCc2sccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP2C19 P33261 2/20 0.51
DRD1 P21728 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
USP2 O75604 1/20 0.51
ABCB11 O95342 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ADRB3 P13945 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CYP2B6 P20813 1/20 0.51
TBXA2R P21731 1/20 0.51
HRH2 P25021 1/20 0.51

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
SCHEMBL14277821 0.80 ALDH1A1 (0.58) ALDH1A1CYP2C19DRD1DRD4DRD3
SCHEMBL10622998 0.80 KDM4E (0.51) ALDH1A1CYP2C19DRD1DRD4DRD3
SCHEMBL29144278 0.78 PRMT5 (0.54) ALDH1A1CYP2C19DRD1DRD4DRD3
SCHEMBL17377031 0.78 PRMT5 (0.54) ALDH1A1CYP2C19DRD1DRD4DRD3
SCHEMBL6370163 0.77 CYP2C19 (0.59) ALDH1A1CYP2C19DRD1DRD4DRD3
SCHEMBL14067429 0.77 ALDH1A1 (0.55) ALDH1A1CYP2C19DRD1DRD4DRD3
SCHEMBL5371755 0.77 ALDH1A1 (0.55) ALDH1A1CYP2C19DRD1DRD4DRD3
SCHEMBL31514411 0.77 ALDH1A1 (0.51) ALDH1A1CYP2C19DRD1DRD4DRD3
SCHEMBL10623028 0.76 GAA (0.56) ALDH1A1CYP2C19DRD1DRD4DRD3
Hydrochloric Acid SCHEMBL11704057 0.75 MAPK1 (0.59) ALDH1A1CYP2C19DRD1DRD4DRD3

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
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
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 ALDH1A1 1999/4885CYP2C19 2682/4885DRD1 4870/4885

“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.