SCHEMBL3965528

SCHEMBL3965528

OB(O)c1cccc(CNCC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.51
MGLL Q99685 2/20 0.46
LPL P06858 2/20 0.44
LIPG Q9Y5X9 2/20 0.44
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PSMB5 P28074 3/20 0.37
EPHX1 P07099 1/20 0.36
MPO P05164 1/20 0.35
DPP7 Q9UHL4 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
SCHEMBL6352816 0.80 ENPP2 (0.58) ENPP2MGLLLPLLIPGKDM4E
Hydrochloric Acid SCHEMBL5391190 0.78 ATM (0.48) MPO
SCHEMBL3952244 0.78 ENPP2 (0.60) ENPP2MGLLLPLLIPGKDM4E
SCHEMBL27734127 0.77 HTT (0.43) KDM4EALDH1A1
SCHEMBL1722682 0.75 ENPP2 (0.53) ENPP2MGLLLPLLIPGCXCR1
SCHEMBL24455109 0.75 DPP7 (0.54) KDM4EDPP7
SCHEMBL16099345 0.75 CYP1A2 (0.51) KDM4E
SCHEMBL6358240 0.74 ENPP2 (0.51) ENPP2LPLLIPGCXCR1CXCR2
SCHEMBL3977586 0.74 ENPP2 (0.56) ENPP2LPLLIPGKDM4EMPO
SCHEMBL3724201 0.74 ENPP2 (0.60) ENPP2MGLLLPLLIPGKDM4E

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
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
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP 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 ENPP2 1331/4885MGLL 2780/4885LPL 2114/4885

“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.