SCHEMBL2438541

SCHEMBL2438541

Cc1cc([N+](=O)[O-])cc(Cl)c1NC(=O)Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 6/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TRPV1 Q8NER1 1/20 0.45
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43
CCR6 P51684 1/20 0.43
MAPK1 P28482 2/20 0.43
EPHX2 P34913 1/20 0.43
RORC P51449 1/20 0.42
PKM P14618 1/20 0.42
MAPK8 P45983 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL3608532 0.88 L3MBTL1 (0.53) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL2435670 0.82 MAPK8 (0.47) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL2437623 0.74 SMN1; SMN2 (0.47) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL30796118 0.74 SMN1; SMN2 (0.47) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL3109635 0.72 TRPV1 (0.42) L3MBTL1MAPTTRPV1EPHX2RORC
SCHEMBL30795031 0.72 TRPV1 (0.42) L3MBTL1MAPTTRPV1EPHX2RORC
SCHEMBL2436472 0.70 POLB (0.46) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL11650801 0.69 ALDH1A1 (0.52) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL3603325 0.69 CA12 (0.52) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL2071340 0.68 L3MBTL1 (0.81) KMT2AL3MBTL1MEN1MAPTALDH1A1

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 KMT2A 3665/4885L3MBTL1 4060/4885MEN1 1899/4885
US-20100063033-A1 Methods of using substituted morpholine derivatives OPRM1, TPMT, SIGMAR1 KMT2A 4117/4885L3MBTL1 4479/4885MEN1 1506/4885
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRD1 KMT2A 3543/4885L3MBTL1 3918/4885MEN1 1883/4885
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, TPMT, OPRK1 KMT2A 3605/4885L3MBTL1 4027/4885MEN1 1222/4885
US-20110294787-A1 SUBSTITUTED THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRL1 KMT2A 3779/4885L3MBTL1 3911/4885MEN1 2499/4885
US-20100063036-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 KMT2A 3665/4885L3MBTL1 4060/4885MEN1 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.