SCHEMBL3965337

SCHEMBL3965337

COC(=O)c1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.48
ESR2 Q92731 5/20 0.48
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
ABHD6 Q9BV23 3/20 0.37
ACKR3 P25106 1/20 0.36
NOTUM Q6P988 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
BDKRB1 P46663 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 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
SCHEMBL2258012 0.87 ESR1 (0.48) ESR1ESR2ABHD6ACKR3NOTUM
SCHEMBL2256735 0.87 ESR1 (0.43) ESR1ESR2ALDH1A1LMNAMAPT
SCHEMBL506164 0.80 ESR1 (0.55) ESR1ESR2ALDH1A1LMNAHPGD
SCHEMBL22102923 0.79 SLC6A3 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL506186 0.79 ESR1 (0.50) ESR1ESR2ALDH1A1LMNAHPGD
SCHEMBL507139 0.79 ESR1 (0.53) ESR1ESR2ALDH1A1LMNAHPGD
SCHEMBL17823126 0.78 ESR1 (0.54) ESR1ESR2ABHD6HDAC6TDP1
SCHEMBL507562 0.78 ESR1 (0.40) ESR1ESR2LMNAMAPTHPGD
SCHEMBL2255041 0.77 ESR1 (0.48) ESR1ESR2ABHD6ACKR3NOTUM
SCHEMBL13749172 0.77 ESR1 (0.45) ESR1ESR2HPGDABHD6ACKR3

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
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 ESR1 175/4885ESR2 150/4885ALDH1A1 580/4885

“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.