SCHEMBL10274971

SCHEMBL10274971

NCCCSc1c(Cl)ccc2c1CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.35
STK17B O94768 2/20 0.33
STK17A Q9UEE5 2/20 0.33
SLC6A3 Q01959 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.31
KIF11 P52732 1/20 0.30
DYRK3 O43781 1/20 0.30
CLK1 P49759 1/20 0.30
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30
HASPIN Q8TF76 1/20 0.30
DYRK2 Q92630 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK4 Q9NR20 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL10277690 0.91 SLC6A3 (0.37) PNMTSTK17BSTK17ASLC6A3PTGES2
SCHEMBL10274969 0.75 CYP1A2 (0.49)
SCHEMBL10278030 0.72 HTT (0.34) PNMTPTGES2
SCHEMBL10277475 0.72 HTT (0.34) PNMTPTGES2
SCHEMBL11947619 0.72 HTR2A (0.44) PNMT
SCHEMBL10277768 0.71 NPC1 (0.47)
SCHEMBL507911 0.71 ESR2 (0.44)
SCHEMBL10274944 0.70 PTPRG (0.34) PNMTPTGES2
SCHEMBL10278028 0.70 MEN1 (0.33) SLC6A3PTGES2
SCHEMBL10277495 0.70 L3MBTL1 (0.35) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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 (2 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 PNMT 460/4885STK17B 2102/4885STK17A 1977/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A PNMT 421/4885STK17B 1915/4885STK17A 1605/4885

“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.