SCHEMBL2579008

SCHEMBL2579008

CC(C)(C)OC(=O)N(Cc1ccc(C#N)cc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.50
GCGR P47871 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
HSD11B1 P28845 1/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
AGER Q15109 3/20 0.39
MTNR1A P48039 1/20 0.39
ITK Q08881 1/20 0.39
NSD3 Q9BZ95 1/20 0.38
CCR5 P51681 1/20 0.38
EPHX1 P07099 1/20 0.38
PDK2 Q15119 1/20 0.38

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
SCHEMBL22379965 0.87 NSD2 (0.43) NSD2GCGRGPR119CHRM2CHRM1
SCHEMBL21088550 0.85 HTR2A (0.44) HSD11B1NR1H4TRPM8AGERMTNR1A
SCHEMBL3143765 0.84 HSD11B1 (0.43) HSD11B1NR1H4AGERMTNR1AEPHX1
SCHEMBL2586550 0.84 HSD11B1 (0.43) HSD11B1NR1H4AGERMTNR1A
SCHEMBL27884072 0.84 AGER (0.54) HSD11B1SLC6A4AGERMTNR1A
SCHEMBL6587329 0.83 AGER (0.45) GPR119HSD11B1NR1H4AGERMTNR1A
SCHEMBL3117999 0.83 AGER (0.48) GPR119HSD11B1AGERMTNR1A
SCHEMBL3013253 0.81 NR1H4 (0.43) NSD2GCGRGPR119HSD11B1NR1H4
SCHEMBL2401141 0.81 MEN1 (0.46) HSD11B1AGERMTNR1AEPHX1
SCHEMBL10207431 0.81 HSD11B1 (0.56) HSD11B1CHRM2CHRM3NR1H4AGER

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268729-A1 NOVEL CXCR4 ANTAGONISTS WITH AMINO ACID SKELETON, PREPARATION THEREFOR AND BIOMEDICAL USE THEREOF TSINGHUA UNIVERSITY (CN) 2020-08-27 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
CN-101258131-B As 5-HT2c6-aralkylamino-2 receptor agonists LILLY CO ELI 2013-07-24 CN disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 US disclosed
CN-101258131-A As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * LILLY CO ELI (US) 2008-09-03 CN disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 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 (3 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-20200268729-A1 NOVEL CXCR4 ANTAGONISTS WITH AMINO ACID SKELETON, PREPARATION THEREFOR AND BIOMEDICAL USE THEREOF CXCR4, CXCL12, CXCR1 NSD2 4408/4885GCGR 229/4885GPR119 34/4885
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A NSD2 1189/4885GCGR 145/4885GPR119 26/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A NSD2 1189/4885GCGR 145/4885GPR119 26/4885

“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.