SCHEMBL7665476

SCHEMBL7665476

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.52
PTGDR2 Q9Y5Y4 10/20 0.43
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
OPRK1 P41145 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6740752 0.90 HTR2C (0.46) HTR2CPTGDR2OPRK1NPC1RAB9A
SCHEMBL5872544 0.85 HTR2C (0.47) HTR2CPTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL11445480 0.85 KMT2A (0.52) HTR2CPTGDR2NR1H2NR1H3PDK1
SCHEMBL7100926 0.84 HTR2C (0.48) HTR2CPTGDR2OPRK1NPC1RAB9A
SCHEMBL11445289 0.84 PTGDR2 (0.45) HTR2CPTGDR2OPRK1NPC1RAB9A
SCHEMBL11445440 0.82 GRM5 (0.44) HTR2CPTGDR2F13A1TGM2TGM1
SCHEMBL5131797 0.81 SMN1; SMN2 (0.53) HTR2CNPC1RAB9ASMN1; SMN2GAA
SCHEMBL5129484 0.80 SMN1; SMN2 (0.42) HTR2CPTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL11453696 0.80 SMN1; SMN2 (0.43) HTR2CPTGDR2OPRK1NPC1RAB9A
SCHEMBL11453709 0.80 SMN1; SMN2 (0.43) HTR2CNPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885PTGDR2 346/4885F13A1 1230/4885

“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.