SCHEMBL2580148

SCHEMBL2580148

O=[C]CNC1Cc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
GRIN2B Q13224 4/20 0.50
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
SIGMAR1 Q99720 1/20 0.47
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PRMT5 O14744 5/20 0.42
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
DPP4 P27487 1/20 0.40

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
SCHEMBL7423072 0.88 MAOA (0.71) MAOAMAOBGRIN2BMTNR1AMTNR1B
SCHEMBL29265297 0.80 MAOB (0.77) MAOAMAOBGRIN2BMTNR1AMTNR1B
SCHEMBL4859978 0.77 GRIN2B (0.55) MAOAMAOBGRIN2BMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL1026811 0.75 GRIN2B (0.53) MAOAMAOBGRIN2BMTNR1AMTNR1B
SCHEMBL5203096 0.73 GRIN2B (0.52) MAOAMAOBGRIN2BSIGMAR1PRMT5
Benzene SCHEMBL27334501 0.73 GRIN2B (0.56) MAOAMAOBGRIN2BMTNR1AMTNR1B
SCHEMBL1792787 0.73 GRIN2B (0.61) GRIN2BMTNR1AMTNR1BSIGMAR1
SCHEMBL13981017 0.73 MTNR1A (0.51) GRIN2BMTNR1AMTNR1BSIGMAR1PRMT5
SCHEMBL1600963 0.72 CA1 (0.48) MAOAMAOBGRIN2BMTNR1AMTNR1B
SCHEMBL13846495 0.72 GRIN2B (0.55) MAOAMAOBGRIN2BMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
US-7232817-B2 α- and β-amino acid hydroxyethlamino sulfonyl urea derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-06-19 US disclosed
US-7202258-B2 α- and β-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-10 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US disclosed
US-6417387-B1 IN PARTICULAR AS INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-07-09 US disclosed
US-6403585-B1 INHIBITING RETROVIRAL PROTEASES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS (HIV) PROTEASE G. D. SEARLE & CO. 2002-06-11 US disclosed
US-6335460-B1 TREATING RETROVIRAL INFECTIONS, INCLUDING HUMAN IMMUNODEFICIENCY VIRUS, AND AIDS G.D. SEARLE & CO. 2002-01-01 US disclosed
US-6248775-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. 2001-06-19 US disclosed
US-6211176-B1 AIDS TREATMENT G. D. SEARLE & CO. 2001-04-03 US disclosed
US-6172082-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G. D. SEARLE & CO. 2001-01-09 US disclosed
US-6156768-A Alpha- and beta-amino acid hydroxyethylamino sulfamic acid derivatives useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-12-05 US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 US disclosed
EP-0666842-A1 HYDROXYETHYLAMINO SULFAMIC ACID DERIVATIVES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-08-16 EP disclosed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP 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 (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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP MAOA 2682/4885MAOB 3387/4885GRIN2B 1460/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP MAOA 2682/4885MAOB 3387/4885GRIN2B 1460/4885

“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.