SCHEMBL8177698

SCHEMBL8177698

CC(=O)N(C)CCc1ccc2c(c1)OCC(=O)N2C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.48
HTR2C P28335 3/20 0.48
HTR1D P28221 2/20 0.44
HTR1B P28222 2/20 0.44
SLC6A4 P31645 2/20 0.44
KCNH2 Q12809 2/20 0.44
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
CYP11B2 P19099 2/20 0.42
CYP11B1 P15538 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
NMT1 P30419 1/20 0.38
SMPD1 P17405 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
PRKCQ Q04759 1/20 0.36
F10 P00742 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL9593875 0.81 HTR1A (0.50) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL13656404 0.79 POLB (0.42)
SCHEMBL8785675 0.78 HTR1A (0.55) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437724 0.78 HTR1A (0.55) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9411050 0.78 HTR1A (0.51) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL13406065 0.76 HTR1A (0.52) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437846 0.76 HTR1A (0.46) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437726 0.76 HTR1A (0.51) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL7477048 0.75 HTR1A (0.51) HTR1AHTR2CHTR1DHTR1BSLC6A4
SCHEMBL9437707 0.75 HTR1A (0.57) HTR1AHTR2CHTR1DHTR1BSLC6A4

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
WO-2008083204-A2 MODULATION OF NEUROGENESIS BY MELATONINERGIC LIGANDS BRAINCELLS, INC. (US) 2008-07-10 WO disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 US disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 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 (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-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents MTNR1A, GAP43, DCX HTR1A 209/4885HTR2C 277/4885HTR1D 853/4885

“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.