SCHEMBL2437807

SCHEMBL2437807

CCc1cc([N+](=O)[O-])cc(CC)c1NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYTH2 Q99418 2/20 0.54
FFAR4 Q5NUL3 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSP90AA1 P07900 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
RAB9A P51151 1/20 0.50
CYP19A1 P11511 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5158966 0.93 CYTH2 (0.57) CYTH2FFAR4CYP1A2CYP3A4CYP2C19
SCHEMBL10623079 0.84 FFAR4 (0.70) CYTH2FFAR4CYP1A2CYP3A4CYP2C19
SCHEMBL27876169 0.83 HSP90AA1 (0.50) CYTH2FFAR4CYP1A2CYP3A4CYP2C19
SCHEMBL2437890 0.81 FFAR4 (0.56) CYTH2FFAR4CYP3A4ALDH1A1GAA
SCHEMBL2433650 0.79 ALDH1A1 (0.51) CYTH2FFAR4CYP1A2CYP3A4CYP2C19
SCHEMBL9616536 0.79 FFAR4 (0.56) CYTH2FFAR4CYP2C19MEN1KMT2A
SCHEMBL6577363 0.76 CA2 (0.71) CYTH2CYP3A4MEN1KMT2ARAB9A
SCHEMBL2243826 0.76 CA2 (0.71) CYTH2CYP3A4MEN1KMT2ARAB9A
SCHEMBL5160443 0.76 CYTH2 (0.54) CYTH2FFAR4CYP1A2CYP3A4CYP2C19
SCHEMBL5161240 0.76 CYTH2 (0.54) CYTH2FFAR4CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516204-B The morpholine replaced and thiomorpholine derivatives H. LUNDHECK A/S (DK) 2016-01-20 CN disclosed
US-8299075-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2011-12-01 US disclosed
US-8012962-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2011-09-06 US disclosed
US-7812023-B2 Methods of using substituted morpholine derivatives H. LUNDBECK A/S (DK) 2010-10-12 US disclosed
US-20100063033-A1 Methods of using substituted morpholine derivatives H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
EP-1947093-B9 Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2010-03-03 EP disclosed
EP-2138487-A1 Substituted morpholine and thiomorpholine derivatives for the treatment of bipolar disorders H. Lundbeck A/S (DK) 2009-12-30 EP disclosed
US-7632835-B2 2-Cyclopentyl-N-(2-bromo-6-trifluoromethyl-4-(thio)morpholin-4-yl-phenyl)-acetamide; potent openers of the KCNQ family of potassium ion channels; antiepileptic agents; anticonvulsants; anxiolytic agents; neurodegenerative disorders; analgesics for headaches, neuropathic pain; bipolar disorders H. LUNDBECK A/S (DK) 2009-12-15 US disclosed
CN-1930138-A Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H (DK) 2007-03-14 CN disclosed
EP-1727809-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
US-20060167248-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
WO-2005087754-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed
EP-0484325-A4 AZIDO-SUBSTITUTED OCTOPAMINE AGONISTS AND THE USE THEREOF TO CONTROL INVERTEBRATE PESTS 1992-06-24 EP disclosed
EP-0484325-A1 AZIDO-SUBSTITUTED OCTOPAMINE AGONISTS AND THE USE THEREOF TO CONTROL INVERTEBRATE PESTS THE GENERAL HOSPITAL CORPORATION (US) 1992-05-13 EP disclosed
US-4892871-A INSECTICIDE THE GENERAL HOSPITAL CORPORATION (US) 1990-01-09 US disclosed
WO-1989009542-A1 AZIDO-SUBSTITUTED OCTOPAMINE AGONISTS AND THE USE THEREOF TO CONTROL INVERTEBRATE PESTS THE GENERAL HOSPITAL CORPORATION (US) 1989-10-19 WO disclosed
US-4178387-A ADMINISTERING AMIDINOUREAS WILLIAM H. RORER, INC. (US) 1979-12-11 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US 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 (4 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-20060167248-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 CYTH2 815/4885FFAR4 1553/4885CYP1A2 82/4885
US-20100063033-A1 Methods of using substituted morpholine derivatives OPRM1, TPMT, SIGMAR1 CYTH2 770/4885FFAR4 2033/4885CYP1A2 48/4885
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRL1 CYTH2 1415/4885FFAR4 1485/4885CYP1A2 120/4885
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 CYTH2 815/4885FFAR4 1553/4885CYP1A2 82/4885

“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.