SCHEMBL506855

SCHEMBL506855

NCc1cccc2occc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EED O75530 5/20 0.46
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
FTO Q9C0B1 1/20 0.41
KCNA3 P22001 1/20 0.40
PNMT P11086 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
SUZ12 Q15022 2/20 0.35
EZH2 Q15910 2/20 0.35

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
SCHEMBL6952349 0.81 EED (0.42) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL2095736 0.79 EED (0.46) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL27921496 0.79 EED (0.46) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL27940164 0.79 EED (0.46) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL3794946 0.79 MTNR1A (0.51) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL5357479 0.79 MAOB (0.47) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL957263 0.79 EED (0.46) EEDMTNR1AMTNR1BMAOAMAOB
SCHEMBL5987863 0.77 HTR2A (0.44) EEDMTNR1AMTNR1BMAOA
SCHEMBL30401257 0.77 HTR2A (0.44) EEDMTNR1AMTNR1BMAOA
SCHEMBL9911358 0.76 GABRA1 (0.48) EEDMTNR1AMTNR1BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
US-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2025-09-30 US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-11931363-B2 Triazolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2024-03-19 US disclosed
EP-3990442-B1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2024-02-28 EP disclosed
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH (CN) 2023-02-02 US disclosed
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH (CN) 2023-02-02 US disclosed
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2022-12-08 US disclosed
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers NOVARTIS AG (CH) 2007-06-14 US disclosed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP disclosed
EP-1063982-B1 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH INC (US) 2007-02-14 EP disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1689702-A1 ORGANIC COMPOUNDS NOVARTIS-PHARMA GMBH (AT) 2006-08-16 EP disclosed
US-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders GENENTECH, INC. 2005-09-15 US disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
WO-2005051895-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-06-09 WO disclosed
EP-1063982-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS Genentech, Inc. (US) 2001-01-03 EP disclosed
WO-1999049856-A2 ANTAGONISTS FOR TREATMENT OF CD11/CD18 ADHESION RECEPTOR MEDIATED DISORDERS GENENTECH, INC. (US) 1999-10-07 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 (7 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-11931363-B2 Triazolopyrimidine compounds and uses thereof EZH2, DOT1L, EED EED 3/4885MTNR1A 2452/4885MTNR1B 2400/4885
US-12428413-B2 Rho kinase inhibitors and compositions and methods of use thereof ROCK1, ROCK2, RHOA EED 2781/4885MTNR1A 2475/4885MTNR1B 2427/4885
US-20050203135-A1 Antagonists for treatment of CD/11CD18 adhesion receptor mediated disorders VCAM1, CD58, ITGB8 EED 1781/4885MTNR1A 509/4885MTNR1B 369/4885
US-20220388998-A1 RHO KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ROCK1, ROCK2, RHOA EED 2781/4885MTNR1A 2475/4885MTNR1B 2427/4885
US-20070135498-A1 5-Amino-4-hydroxy-2-isopropyl-7-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-8-methyl-nonanoic acid (1-hydroxymethyl-cyclopentyl)-amide; hypertension, atherosclerosis, unstable coronary syndrome, congestive heart failure, cardiac hypertrophy, cardiac fibrosis, cardiomyopathy postinfarction, alzheimers AGTR1, REN, AGTR2 EED 3247/4885MTNR1A 1134/4885MTNR1B 1500/4885
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED EED 3/4885MTNR1A 2452/4885MTNR1B 2400/4885
US-20230033320-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED EED 3/4885MTNR1A 2452/4885MTNR1B 2400/4885

“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.