SCHEMBL3964584

SCHEMBL3964584

O=C(N1CCc2ccc(Cl)c(-c3ccccc3O)c2CC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.46
ESR2 Q92731 6/20 0.46
SPR P35270 1/20 0.37
ABHD6 Q9BV23 2/20 0.36
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
DRD5 P21918 2/20 0.36
DRD3 P35462 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PDE4B Q07343 1/20 0.35
PDK2 Q15119 1/20 0.35
DRD4 P21917 1/20 0.35
ACKR3 P25106 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL3966191 0.85 ESR1 (0.46) ESR1ESR2ABHD6
SCHEMBL14115667 0.84 ESR1 (0.46) ESR1ESR2ABHD6ACKR3ALDH1A1
SCHEMBL3963797 0.83 DRD2 (0.42) ESR1ESR2ABHD6DRD2DRD3
SCHEMBL14115773 0.81 ESR1 (0.43) ESR1ESR2ALDH1A1LMNA
SCHEMBL506164 0.80 ESR1 (0.55) ESR1ESR2ABHD6ACKR3ALDH1A1
SCHEMBL3964039 0.80 ESR1 (0.44) ESR1ESR2ABHD6ACKR3ALDH1A1
SCHEMBL507139 0.79 ESR1 (0.53) ESR1ESR2ABHD6ACKR3ALDH1A1
SCHEMBL506963 0.77 ESR1 (0.50) ESR1ESR2ABHD6DRD2DRD1
SCHEMBL14115741 0.76 CYP11B2 (0.44) ESR1ESR2
SCHEMBL506186 0.76 ESR1 (0.50) ESR1ESR2ABHD6ACKR3ALDH1A1

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 8 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

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 ESR1 175/4885ESR2 150/4885SPR 3996/4885

“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.