SCHEMBL5872510

SCHEMBL5872510

O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)CCN1c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ENPP2 Q13822 2/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
OPRK1 P41145 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL7830999 1.00 PTGDR2 (0.44) PTGDR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5746454 0.93 PTGDR2 (0.44) PTGDR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5872558 0.90 OPRK1 (0.45) PTGDR2NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL5872557 0.90 OPRK1 (0.45) PTGDR2NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL5872584 0.90 OPRK1 (0.45) PTGDR2NPC1RAB9ASMN1; SMN2MMP1
SCHEMBL11464607 0.89 GFER (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL5132634 0.88 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL11464275 0.87 MMP9 (0.52) PTGDR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5872581 0.87 GPR174 (0.46) PTGDR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL25403397 0.84 TDP1 (0.46) NPC1RAB9ASMN1; SMN2MAPTMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098338-B2 2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a) quinoxalin-5(6H)one derivatives WYETH (US) 2006-08-29 US disclosed
CN-1240701-C 2,3,4,4-tetrahydro-1H-pyrazino (1,2-a) quinoxalin-5(6H) one deivatives being 5HT2C agonists AMERICAN HOME PROD (US) 2006-02-08 CN disclosed
US-20040116437-A1 2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a) quinoxalin-5(6H)one derivatives WYETH (US) 2004-06-17 US disclosed
US-6706714-B2 USEFUL FOR THE TREATMENT OF DISORDERS INVOLVING THE CENTRAL NERVOUS SYSTEM SUCH AS OBSESSIVE-COMPULSIVE DISORDER, DEPRESSION, ANXIETY, SCHIZOPHERNIA, MIGRAINE, SLEEP OR EATING DISORDER, OBESITY, TYPE II DIABETES AND EPILEPSY WYETH CORP (US) 2004-03-16 US disclosed
US-20030060468-A1 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)one derivatives WYETH (US) 2003-03-27 US disclosed
US-6476032-B2 5HT2C RECEPTOR AGONISTS TO TREAT SCHIZOPHRENIA AND CENTRAL NERVOUS SYSTEM DISORDERS; OBSESSIVE-COMPULSIVE DISORDER; ANTIDEPRESSANTS, MIGRAINE; SLEEP DISORDERS; EATING DISORDERS; OBESITY; ANTIDIABETIC, -EPILEPTIC AND ANXIOLYTIC AGENTS WYETH 2002-11-05 US disclosed
US-6372745-B1 TREATMENT OF OBESITY IN MAMMALS AMERICAN HOME PRODUCTS CORPORATION 2002-04-16 US disclosed
CN-1330652-A 2,3,4,4-tetrahydro-1H-pyrazino (1,2-a) quinoxalin-5(6H) one deivatives being 5HT2C agonists AMERICAN HOME PROD (US) 2002-01-09 CN disclosed
US-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
EP-1140940-A1 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QINOXALIN-5(6H)ONE DERIVATES BEING 5HT2C AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
WO-2000035922-A1 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALIN-5(6H)ONE DERIVATES BEING 5HT2C AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 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 (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-20030060468-A1 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)one derivatives NPY2R, HCRTR2, HTR2C PTGDR2 340/4885NPC1 1858/4885RAB9A 1289/4885
US-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives HTR2C, HTR3C, NPY2R PTGDR2 346/4885NPC1 1742/4885RAB9A 1181/4885

“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.