SCHEMBL5148657

SCHEMBL5148657

O=NSC1(CC(=O)O)C2CC3CC(C2)CC1C3

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 18/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL5680329 0.86 HSD11B1 (0.36) HSD11B1MEN1KMT2A
SCHEMBL5675990 0.84 HSD11B1 (0.41) HSD11B1ALDH1A1
SCHEMBL5676231 0.80 GAA (0.45) HSD11B1
SCHEMBL5676291 0.77 EPHX2 (0.34) MEN1KMT2A
SCHEMBL4586648 0.76
SCHEMBL5679996 0.75 HSD11B1 (0.46) HSD11B1MEN1KMT2APOLBALDH1A1
SCHEMBL4697365 0.74 HSD11B1 (0.33) HSD11B1MEN1KMT2AALDH1A1
SCHEMBL5680391 0.73
Hydrochloric Acid SCHEMBL5677496 0.71 GRIN2D (0.35)
SCHEMBL5677302 0.71 MEN1 (0.34) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256205-B2 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-08-14 US disclosed
US-20070004788-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2007-01-04 US disclosed
US-7129251-B2 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2006-10-31 US disclosed
EP-1497268-A4 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2006-01-18 EP disclosed
US-20050250758-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2005-11-10 US disclosed
EP-1140066-A4 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2005-11-09 EP disclosed
US-6936627-B2 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use NITROMED, INC. (US) 2005-08-30 US disclosed
EP-1497268-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-01-19 EP disclosed
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NICOX S.A. (FR) 2003-10-30 US disclosed
WO-2003086282-A2 NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2003-10-23 WO disclosed
US-6552047-B2 For therapy and prophylaxis of gastrointestinal disorders; inflammations, viral infections, multiple sclerosis; decreasing the recurrence of ulcers; facilitating ulcer healing NITROMED, INC. 2003-04-22 US disclosed
US-20030060492-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use CHIA-EN LIN. 2003-03-27 US disclosed
US-20020077343-A1 H2 RECEPTOR ANTAGONIST COMPOUNDS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSTIONS AND METHODS OF USE NICOX S.A. (FR) 2002-06-20 US disclosed
EP-1140066-A1 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-10-10 EP disclosed
WO-2000028988-A1 NITROSATED AND NITROSYLATED H2 RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-25 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 (5 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-20070004788-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use HRH2, NOS2, NOS1 HSD11B1 2962/4885MEN1 1785/4885KMT2A 3669/4885
US-20050250758-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use HRH2, NOS2, NOS1 HSD11B1 2962/4885MEN1 1785/4885KMT2A 3669/4885
US-20030060492-A1 Nitrosated and nitrosylated H2 receptor antagonist compounds, compositions and methods of use HRH2, NOS2, HRH1 HSD11B1 3075/4885MEN1 1705/4885KMT2A 2656/4885
US-20020077343-A1 H2 RECEPTOR ANTAGONIST COMPOUNDS IN COMBINATION WITH NITRIC OXIDE DONORS, COMPOSTIONS AND METHODS OF USE HRH2, HCAR2, NOS2 HSD11B1 3038/4885MEN1 3136/4885KMT2A 3159/4885
US-20030203915-A1 Nitric oxide donors, compositions and methods of use related applications NOS1, NOS2, NOS3 HSD11B1 1196/4885MEN1 3465/4885KMT2A 4693/4885

“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.