SCHEMBL620577

SCHEMBL620577

FC(F)(F)Oc1[c]c(OC(F)(F)F)ccc1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.30

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
SCHEMBL1067735 0.89 NPC1 (0.32)
SCHEMBL900026 0.86
SCHEMBL1067923 0.85
SCHEMBL900707 0.84
SCHEMBL1064154 0.84
SCHEMBL1064625 0.84 SCN8A (0.31)
SCHEMBL456928 0.84 ALDH1A1 (0.31)
SCHEMBL28943837 0.84
SCHEMBL15353224 0.84 L3MBTL1 (0.36)
SCHEMBL1067659 0.81

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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39680-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US claimed
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US claimed
EP-1345942-B9 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-11-15 EP claimed
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US claimed
US-7071186-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2006-07-04 US claimed
EP-1345942-B1 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2006-03-01 EP claimed
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-04 US claimed
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-10-21 US claimed
EP-1189905-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-29 EP claimed
EP-1189904-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-22 EP claimed
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 claimed
EP-1345942-A2 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2003-09-24 EP claimed
US-20030153576-A1 Aryl and aminoaryl substituted serotonin receptor agonist and antagonist ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-08-14 US claimed
US-6552017-B1 As serotonin agonists and antagonists and are useful in the control or prophylaxis of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep disorders, sexual disorders, migraine BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-22 US claimed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US claimed
JP-2003502336-A 2003-01-21 JP claimed
US-20020177596-A1 Substituted pyrazinoquinoxaline derivatives as serotonin receptor agonist and antagonists ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-28 US claimed
WO-2002059127-A2 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO claimed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP claimed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030153576-A1 Aryl and aminoaryl substituted serotonin receptor agonist and antagonist ligands HTR1A, HTR5A, HTR3A GPR3 22/4885
US-20020177596-A1 Substituted pyrazinoquinoxaline derivatives as serotonin receptor agonist and antagonists ligands HTR1A, HTR5A, HTR1D GPR3 46/4885
US-20040220178-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 GPR3 224/4885
US-20040209864-A1 Substituted heterocycle fused gamma-carbolines HCRTR1, HTR2C, OPRK1 GPR3 224/4885

“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.