SCHEMBL3136982

SCHEMBL3136982

O=[N+]([O-])c1ccc(N2CCCCC2CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.51
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
ADRB1 P08588 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
MCHR1 Q99705 1/20 0.42
GBA1 P04062 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
SLC18A3 Q16572 1/20 0.42

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
SCHEMBL5653005 0.96 MAPT (0.47) CUL4AMAPTALDH1A1ADRB1SIRT6
SCHEMBL223024 0.96 MAPT (0.47) CUL4AMAPTALDH1A1ADRB1SIRT6
SCHEMBL1092846 0.96 MAPT (0.47) CUL4AMAPTALDH1A1ADRB1SIRT6
Methoxymethane SCHEMBL5822675 0.91 MAPT (0.48) CUL4AMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL6714741 0.86 ALDH1A1 (0.53) MAPTALDH1A1LMNASIRT6POLB
SCHEMBL12006068 0.82 MAPT (0.49) MAPTALDH1A1LMNAHRH3
SCHEMBL2886399 0.82 MAPT (0.49) MAPTALDH1A1LMNAHRH3
SCHEMBL28185991 0.81 MAPT (0.47) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL6095682 0.81 MAPT (0.47) MAPTALDH1A1LMNAADRB1SIRT6
SCHEMBL13292851 0.81 KMT2A (0.50) MAPTALDH1A1LMNASIRT6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476336-B2 Ophthalmologic composition and ophthalmologic lens ACRI.TEC GMBH (DE) 2013-07-02 US disclosed
US-8476336-B2 Ophthalmologic composition and ophthalmologic lens ACRI.TEC GMBH (DE) 2013-07-02 US disclosed
EP-2199834-B1 Ophthalmological composition and ophthalmologic lens ZEISS CARL MEDITEC AG (DE) 2012-07-25 EP disclosed
EP-2199834-B1 Ophthalmological composition and ophthalmologic lens ZEISS CARL MEDITEC AG (DE) 2012-07-25 EP disclosed
US-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens CARL ZEISS MEDITEC AG (DE) 2010-06-24 US disclosed
US-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens CARL ZEISS MEDITEC AG (DE) 2010-06-24 US disclosed
EP-2199834-A1 Ophthalmological composition and ophthalmologic lens *Acri. Tec GmbH (DE) 2010-06-23 EP disclosed
EP-2199834-A1 Ophthalmological composition and ophthalmologic lens *Acri. Tec GmbH (DE) 2010-06-23 EP disclosed
US-20100016357-A1 Use of Beta-Aminoalcohols for the Treatment of Inflammatory Disorders and Pain SOSEI R & D LTD. (GB) 2010-01-21 US disclosed
EP-1993544-A1 THE USE OF BETA-AMINOALCOHOLS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-11-26 EP disclosed
EP-0964864-B1 PYRIDO 2,3-D PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-04-09 EP disclosed
WO-2007102011-A1 THE USE OF BETA-AMINOALCOHOLS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-09-13 WO disclosed
EP-1806348-A2 Pyrido (2,3-D)Pyrimidines as inhibitors of cellular proliferation Warner-Lambert Company LLC (US) 2007-07-11 EP disclosed
US-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease BOOTH RICHARD JOHN (US) 2004-11-11 US disclosed
CN-1433417-A Pyridopyrimidinone derivatives for treatment of neurodegenerative disease WARNER LAMBERT CO (US) 2003-07-30 CN disclosed
US-6498163-B1 POTENT INHIBITORS OF CYCLIN-DEPENDENT KINASES AND GROWTH FACTOR MEDIATED KINASES; CANCER, RESTENOSIS, ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2002-12-24 US disclosed
EP-1255755-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001055148-A1 PYRIDOPYRIMIDINONE DERIVATIVES FOR TREATMENT OF NEURODEGENERATIVE DISEASE WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 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 (3 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-20040224958-A1 Pyridopyrimidinone derivatives for treatment of neurodegenerative disease CDK4, CDKL1, CCNT1 CUL4A 3051/4885MAPT 2259/4885ALDH1A1 1162/4885
US-20100160482-A1 Ophthalmologic Composition And Ophthalmologic Lens NR2E3, NR1H2, NR5A2 CUL4A 3636/4885MAPT 2745/4885ALDH1A1 2628/4885
US-20100016357-A1 Use of Beta-Aminoalcohols for the Treatment of Inflammatory Disorders and Pain HRH3, HRH2, HRH1 CUL4A 3540/4885MAPT 4235/4885ALDH1A1 1467/4885

“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.