SCHEMBL5743824

SCHEMBL5743824

Fc1ccc(-c2ccc3c(c2)NCC2CNCCN32)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.56
HTR2B P41595 6/20 0.46
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR6 P50406 4/20 0.41
TRPA1 O75762 1/20 0.38
HTR2A P28223 2/20 0.38

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
SCHEMBL5745272 0.86 HTR2C (0.53) HTR2CHTR2BKDM4EMEN1GAA
SCHEMBL6713881 0.77 HTR2C (0.57) HTR2CHTR2BHTR6TRPA1HTR2A
SCHEMBL6711352 0.77 HTR2C (0.57) HTR2CHTR2BHTR6TRPA1HTR2A
SCHEMBL10249403 0.76 HTR2C (0.50) HTR2CHTR2BKDM4EMEN1GAA
SCHEMBL5743799 0.74 HTR2C (0.51) HTR2CHTR2BHTR6HTR2A
SCHEMBL5747129 0.73 HTR2C (0.56) HTR2CHTR2BKDM4EMEN1GAA
SCHEMBL5748262 0.72 HTR2C (0.52) HTR2CHTR2BHTR6HTR2A
SCHEMBL5744871 0.71 HTR2C (0.52) HTR2CHTR2BHTR6HTR2A
SCHEMBL30729380 0.67 MEN1 (0.64) HTR2CHTR2BMEN1GAAKMT2A
SCHEMBL3260203 0.67 MEN1 (0.64) HTR2CHTR2BMEN1GAAKMT2A

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
EP-1345942-B9 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-11-15 EP disclosed
EP-1345942-B1 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-03-01 EP disclosed
US-6638934-B2 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoxaline derivatives; treating depression, schizophrenia; (5-hydroxytryptamine=5HT) 5HT2a antagonist or a 5HT2c agonist BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-28 US disclosed
US-20020177596-A1 Substituted pyrazinoquinoxaline derivatives as serotonin receptor agonist and antagonists ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-28 US 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-20020177596-A1 Substituted pyrazinoquinoxaline derivatives as serotonin receptor agonist and antagonists ligands HTR1A, HTR5A, HTR1D HTR2C 6/4885HTR2B 4/4885KDM4E 1957/4885

“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.