SCHEMBL6740752

SCHEMBL6740752

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
CYP2C19 P33261 2/20 0.46
HTR2A P28223 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
OPRK1 P41145 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
USP30 Q70CQ3 1/20 0.41
PTGDR2 Q9Y5Y4 6/20 0.40
XIAP P98170 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
SCHEMBL7665476 0.90 HTR2C (0.52) HTR2COPRK1SMN1; SMN2NPC1RAB9A
SCHEMBL11445289 0.89 PTGDR2 (0.45) HTR2COPRK1SMN1; SMN2NPC1RAB9A
SCHEMBL7100926 0.89 HTR2C (0.48) HTR2CCYP2C19OPRK1SMN1; SMN2NPC1
SCHEMBL5872544 0.89 HTR2C (0.47) HTR2CCYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL5131797 0.87 SMN1; SMN2 (0.53) HTR2CCYP2C19ALDH1A1SMN1; SMN2NPC1
SCHEMBL5129484 0.85 SMN1; SMN2 (0.42) HTR2CCYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL11445583 0.85 HSD17B10 (0.42) HTR2CCYP2C19ALDH1A1SMN1; SMN2NPC1
SCHEMBL11453696 0.85 SMN1; SMN2 (0.43) HTR2CCYP2C19OPRK1SMN1; SMN2NPC1
SCHEMBL11445440 0.85 GRM5 (0.44) HTR2CCYP2C19SMN1; SMN2NPC1RAB9A
SCHEMBL11453709 0.85 SMN1; SMN2 (0.43) HTR2CCYP2C19SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (1 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-20010051622-A1 2,3,4,4a-tetrahydro-1H-pyrazino-[1,2a] quinoxalin-5- (6H) one derivatives HTR2C, HTR3C, NPY2R HTR2C 1/4885CYP2C19 311/4885HTR2A 5/4885

“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.