SCHEMBL574743

SCHEMBL574743

c1ccc2c(c1)CC[N]O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
NOS3 P29474 2/20 0.38
NOS2 P35228 1/20 0.38
TSHR P16473 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
OXTR P30559 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL757859 0.78
SCHEMBL971330 0.69 MAOA (0.70) MAOAMAOBTSHRABCG2ITGB2
SCHEMBL30360775 0.69 MAOA (0.70) MAOAMAOBTSHRABCG2ITGB2
SCHEMBL30065792 0.67
SCHEMBL519685 0.66 TSHR (0.53) MAOAMAOBNOS3NOS2TSHR
SCHEMBL2094587 0.65 MAOA (0.39) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL31513481 0.65 MAOA (0.39) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL3074959 0.65 MAOA (0.50) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL8925 0.65 MAOA (0.39) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL33192 0.65

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 453 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774741-B1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2022-06-08 EP claimed
CN-109790164-B Purine and 3-deazapurine analogues as choline kinase inhibitors 内尔维亚诺医疗科学公司 2022-01-25 CN claimed
CN-112805381-A Compositions and methods for treating and preventing neurological disorders 优曼尼蒂治疗公司 2021-05-14 CN claimed
EP-3810777-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2021-04-28 EP claimed
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues UCB Biopharma SRL (BE) 2021-04-01 US claimed
EP-3774741-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB Biopharma SRL (BE) 2021-02-17 EP claimed
CN-111936472-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2020-11-13 CN claimed
WO-2019192992-A1 ANTIMALARIAL HEXAHYDROPYRIMIDINE ANALOGUES UCB BIOPHARMA SPRL (BE) 2019-10-10 WO claimed
US-7601712-B2 Such as (1)-2-(4-chloro-3-((2-chloro-4-(((2S)-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-ly)methoxy)benzoyl)amino)phenyl)-2-methylpropanoic acid; prostaglandin receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2009-10-13 US claimed
US-20070123543-A1 Novel compounds ASTRAZENECA AB (SE) 2007-05-31 US claimed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP claimed
EP-1136071-A2 Use of glycogen phosphorylase inhibitors Pfizer Products Inc. (US) 2001-09-26 EP claimed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP claimed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US claimed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US claimed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP claimed
EP-0978279-A1 Inhibitors of human glycogen phosphorylase Pfizer Products Inc. (US) 2000-02-09 EP claimed
EP-0846464-A2 Use of glycogen phosphorylase inhibitor for reducing non-cardiac tissue damage resulting from ischemia PFIZER INC. (US) 1998-06-10 EP claimed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP claimed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070123543-A1 Novel compounds C1R, CHRM2, CHRM1 MAOA 1922/4885MAOB 964/4885NOS3 1620/4885
US-20210094941-A1 Antimalarial Hexahydropyrimidine Analogues G6PD, DPYD, DHODH MAOA 1571/4885MAOB 1471/4885NOS3 1564/4885

“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.