SCHEMBL5872544

SCHEMBL5872544

O=C1Nc2cc(F)c(F)cc2N2CCN(C(=O)OCc3ccccc3)CC12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PTGDR2 Q9Y5Y4 8/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
DPP4 P27487 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
PARP1 P09874 1/20 0.40
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL11445440 0.90 GRM5 (0.44) HTR2CSMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL6740752 0.89 HTR2C (0.46) HTR2CSMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL5129484 0.88 SMN1; SMN2 (0.42) HTR2CSMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL5131797 0.88 SMN1; SMN2 (0.53) HTR2CSMN1; SMN2NPC1RAB9AGAA
SCHEMBL11453696 0.86 SMN1; SMN2 (0.43) HTR2CSMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL11445289 0.86 PTGDR2 (0.45) HTR2CSMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL11445583 0.86 HSD17B10 (0.42) HTR2CSMN1; SMN2NPC1RAB9AGAA
SCHEMBL7100926 0.86 HTR2C (0.48) HTR2CSMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL11453709 0.86 SMN1; SMN2 (0.43) HTR2CSMN1; SMN2NPC1RAB9AGAA
SCHEMBL11445480 0.86 KMT2A (0.52) HTR2CSMN1; SMN2NPC1RAB9APTGDR2

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 9 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
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
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 HTR2C 3/4885SMN1; SMN2 3134/4885NPC1 1858/4885
US-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives HTR2C, HTR3C, NPY2R HTR2C 1/4885SMN1; SMN2 3132/4885NPC1 1742/4885

“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.