SCHEMBL2255388

SCHEMBL2255388

Brc1ccc(-c2csc(NCC3CC3)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 5/20 0.60
NPSR1 Q6W5P4 1/20 0.60
RAB9A P51151 9/20 0.48
NPC1 O15118 7/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
LMNA P02545 5/20 0.48
ALOX12 P18054 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPY5R Q15761 1/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL2253949 0.85 CYP19A1 (0.47) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL13685352 0.83 NPY5R (0.45) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL1473954 0.81 CSNK2A1 (0.54) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL5131839 0.80 CCNK (0.50) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL13825403 0.79 NPY5R (0.46) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL2584637 0.79 NPC1 (0.44) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3453174 0.78 NPC1 (0.48) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL2581890 0.78 NPC1 (0.46) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL3453821 0.77 NPC1 (0.47) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL2585031 0.77 CCNK (0.43) MAPTMEN1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994163-B2 e.g. 3-tert-Butoxycarbonyl-7-chloro-6-chloromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; serotonin receptor agonist; antidepressant, anxiolytic agent; obesity, obsessive compulsive disorder ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
US-7994163-B2 e.g. 3-tert-Butoxycarbonyl-7-chloro-6-chloromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; serotonin receptor agonist; antidepressant, anxiolytic agent; obesity, obsessive compulsive disorder ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
US-7994163-B2 e.g. 3-tert-Butoxycarbonyl-7-chloro-6-chloromethyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine; serotonin receptor agonist; antidepressant, anxiolytic agent; obesity, obsessive compulsive disorder ELI LILLY AND COMPANY (US) 2011-08-09 US disclosed
EP-1924560-B1 6-SUBSTITUTED- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-08-05 EP disclosed
EP-1924560-B1 6-SUBSTITUTED- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-08-05 EP disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-16 US disclosed
EP-1924560-A1 6-SUBSTITUTED- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-05-28 EP disclosed
WO-2007028082-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
WO-2007028082-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-20080255092-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3C, HTR3A MAPT 4430/4885MEN1 2734/4885KMT2A 1869/4885

“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.