SCHEMBL21436643

SCHEMBL21436643

CN1[CH]Cc2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
SETD7 Q8WTS6 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
OXTR P30559 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
HSD17B3 P37058 1/20 0.31
PRCP P42785 1/20 0.30

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
SCHEMBL5530904 0.71 MAOA (0.41) MAOAMAOBDRD2DRD4SETD7
SCHEMBL14908518 0.68 DRD2 (0.48) MAOAMAOBDRD2DRD4SETD7
SCHEMBL7356037 0.64 MAOA (0.43) MAOAMAOBDRD2DRD4DRD1
SCHEMBL7334246 0.63 CYP1A2 (0.45) MAOAMAOBDRD2DRD4DRD1
SCHEMBL827824 0.62 ALDH1A1 (0.39) MAOAMAOBDRD2DRD4DRD1
SCHEMBL2072867 0.62 MAOA (0.46) MAOAMAOBDRD2DRD4DRD1
Methylamine SCHEMBL6415772 0.61 MAOA (0.35) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL6645559 0.61 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL17185668 0.61 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2
SCHEMBL8925 0.61 MAOA (0.39) MAOAMAOBOXTRABCG2ITGB2

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-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP disclosed
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues UCB Biopharma SRL (BE) 2021-04-01 US disclosed
EP-3774741-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-17 EP disclosed
CN-111936472-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2020-11-13 CN disclosed
WO-2019192992-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SPRL (BE) 2019-10-10 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-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues G6PD, DPYD, DHODH MAOA 1571/4885MAOB 1471/4885DRD2 3512/4885

“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.