SCHEMBL3961318

SCHEMBL3961318

C#CCCNC(=O)C1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.51
EPHX1 P07099 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
EPHX2 P34913 1/20 0.44
RAB9A P51151 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
NAMPT P43490 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3966311 0.89 NAAA (0.57) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL7456890 0.84 NAAA (0.51) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL6183015 0.82 CTSB (0.50) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL3456296 0.81 NAAA (0.53) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL3184451 0.81 NAAA (0.66) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL3964083 0.79 SMN1; SMN2 (0.57) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL28961130 0.78 EPHX1 (0.57) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL15739433 0.77 NAAA (0.56) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL8140520 0.75 NAAA (0.70) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2
SCHEMBL61529 0.75 NAAA (0.59) NAAAEPHX1KEAP1NFE2L2SMN1; SMN2

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 NAAA 3407/4885EPHX1 2083/4885KEAP1 2523/4885

“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.