SCHEMBL7306862

SCHEMBL7306862

CC(=O)N(c1nccs1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.35
NTSR1 P30989 3/20 0.34
GSK3B P49841 2/20 0.33
GSK3A P49840 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK10 P53779 2/20 0.32
MCL1 Q07820 2/20 0.31
ACMSD Q8TDX5 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HTR2C P28335 2/20 0.31
HTR7 P34969 2/20 0.31
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
S1PR1 P21453 1/20 0.31
C5AR1 P21730 1/20 0.31
SLC6A2 P23975 1/20 0.31
FPR3 P25089 1/20 0.31

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
SCHEMBL7314014 0.82 HTR6 (0.35) HTR6NTSR1GSK3BGSK3AMCL1
SCHEMBL7316939 0.79 OPRM1 (0.36) HTR6NTSR1GSK3BGSK3AMCL1
SCHEMBL7307180 0.78 HTR6 (0.35) HTR6NTSR1MCL1ACMSDHTR2C
SCHEMBL7315194 0.78 HTR6 (0.36) HTR6NTSR1GSK3BGSK3AMCL1
SCHEMBL7318525 0.77 NTSR1 (0.38) HTR6NTSR1MCL1ACMSDHRH1
SCHEMBL7312233 0.75 HTR6 (0.36) HTR6NTSR1GSK3BGSK3AMCL1
SCHEMBL7314992 0.74 TSPO (0.46) HTR6MCL1ADRB2ICMTBAD
SCHEMBL7320265 0.74 ICMT (0.45) HTR6MCL1ICMTBAD
SCHEMBL7400412 0.73 MTNR1A (0.36) HTR6GSK3BGSK3AMCL1ACMSD
SCHEMBL7305101 0.73 CYP19A1 (0.35) HTR6NTSR1GSK3BGSK3AMCL1

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-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
US-20020004198-A1 Novel anti-infectives SMITHKLINE BEECHAM CORPORATION 2002-01-10 US disclosed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 HTR6 4503/4885NTSR1 3750/4885GSK3B 4630/4885

“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.