SCHEMBL23950409

SCHEMBL23950409

N[C@]1(Cc2ccccc2)C[C@H](O)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.61
MAOB P27338 9/20 0.61
KDM1A O60341 10/20 0.50
RCOR1 Q9UKL0 3/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 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
SCHEMBL28555751 0.79 MAOA (0.44) MAOAMAOBKDM1ARCOR1ALDH1A1
SCHEMBL1318340 0.76 MAOA (1.00) MAOAMAOBKDM1ARCOR1OPRM1
SCHEMBL23950417 0.76 MAOA (0.42) MAOAMAOBKDM1ARCOR1ALDH1A1
Hydrochloric Acid SCHEMBL1318464 0.74 MAOA (0.95) MAOAMAOBKDM1ARCOR1OPRL1
SCHEMBL29214271 0.73 HSD11B1 (0.41) MAOAMAOBKDM1AALDH1A1
SCHEMBL7808357 0.73 MAOA (0.52) MAOAMAOBKDM1AOPRM1OPRL1
SCHEMBL5190756 0.72 MAOA (0.83) MAOAMAOBKDM1ARCOR1
Hydrochloric Acid SCHEMBL28716487 0.72 MAOA (0.91) MAOAMAOBKDM1ARCOR1OPRL1
SCHEMBL433971 0.72 MAOA (0.83) MAOAMAOBKDM1ARCOR1
SCHEMBL19212054 0.72 KDM1A (0.61) MAOAMAOBKDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 MAOA 3283/4885MAOB 3722/4885KDM1A 1108/4885

“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.