SCHEMBL2436472

SCHEMBL2436472

Cc1cc([N+](=O)[O-])cc(Cl)c1NC(=O)CC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
RAB9A P51151 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX2 P34913 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 3/20 0.41
P2RX7 Q99572 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3610507 0.91 RAB9A (0.49) POLBRAB9AMEN1KMT2AEPHX2
SCHEMBL3600618 0.84 KCNJ11 (0.43) RAB9AKMT2AEPHX2NPC1ALDH1A1
SCHEMBL2437836 0.80 RAB9A (0.48) POLBRAB9AMEN1KMT2AEPHX2
SCHEMBL3608532 0.73 L3MBTL1 (0.53) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30824627 0.73 L3MBTL1 (0.50) POLBRAB9AMEN1KMT2AEPHX2
SCHEMBL2437885 0.73 L3MBTL1 (0.50) POLBRAB9AMEN1KMT2AEPHX2
SCHEMBL2436291 0.72 RAB9A (0.60) RAB9AMEN1KMT2AEPHX2NPC1
SCHEMBL3598832 0.72 RAB9A (0.53) RAB9AMEN1KMT2AEPHX2TSHR
SCHEMBL3608727 0.72 RAB9A (0.59) RAB9AMEN1KMT2AEPHX2NPC1
SCHEMBL11650801 0.72 ALDH1A1 (0.52) RAB9AMEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299075-B2 Substituted thiomorpholine derivatives H. LUNDBECK A/S (DK) 2012-10-30 US disclosed
CN-102516204-A Substituted morpholine and thiomorpholine derivatives LUNDBECK & CO AS H 2012-06-27 CN 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
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
US-7501414-B2 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2009-03-10 US disclosed
EP-1727809-B8 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-10-29 EP disclosed
EP-1947093-A1 Substituted morpholine and thiomorpholine derivatives H. Lundbeck A/S (DK) 2008-07-23 EP disclosed
EP-1727809-B1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-06-11 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 POLB 4348/4885RAB9A 1246/4885MEN1 1899/4885
US-20100063033-A1 Methods of using substituted morpholine derivatives OPRM1, TPMT, SIGMAR1 POLB 3796/4885RAB9A 1770/4885MEN1 1506/4885
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRD1 POLB 4295/4885RAB9A 1275/4885MEN1 1883/4885
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, TPMT, OPRK1 POLB 3915/4885RAB9A 1738/4885MEN1 1222/4885
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRL1 POLB 4727/4885RAB9A 1579/4885MEN1 2499/4885
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 POLB 4348/4885RAB9A 1246/4885MEN1 1899/4885

“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.