SCHEMBL3961007

SCHEMBL3961007

O=S(=O)(Oc1ccccc1-c1c(Cl)ccc2c1CCNCC2)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
HTR2A P28223 5/20 0.41
HTR2B P41595 4/20 0.41
DRD2 P14416 6/20 0.39
HTR6 P50406 2/20 0.37
HTR1D P28221 2/20 0.36
DRD3 P35462 2/20 0.36
KCNH2 Q12809 2/20 0.36
PNMT P11086 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
Hydrochloric Acid SCHEMBL3963008 0.99 HTR2C (0.40) HTR2CHTR2AHTR2BDRD2HTR6
SCHEMBL14091664 0.80 HTR2A (0.58) HTR2CHTR2AHTR2BHTR6HTR1D
SCHEMBL3963797 0.79 DRD2 (0.42) DRD2HTR1DDRD3
SCHEMBL4774096 0.78 DRD2 (0.34) DRD2HTR6HTR1DDRD3
SCHEMBL2589591 0.78 DRD2 (0.50) HTR2CDRD2HTR1DDRD3
Succinic Acid SCHEMBL3963000 0.76 HTR2A (0.48) HTR2CHTR2AHTR2BHTR6HTR1D
SCHEMBL14091665 0.74 HTR2C (0.53) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL10274888 0.74 HTR2C (0.54) HTR2CHTR2AHTR2BPNMTADRA2A
Hydrochloric Acid SCHEMBL3961864 0.73 HTR2C (0.51) HTR2CHTR2AHTR2BPNMTADRA2A
SCHEMBL16518177 0.72 DRD2 (0.49) DRD2HTR6HTR1DDRD3PNMT

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-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 EP disclosed
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 EP disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 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-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A HTR2C 1/4885HTR2A 2/4885HTR2B 7/4885

“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.