SCHEMBL7312233

SCHEMBL7312233

CC(=O)N(Cc1cc(F)ccc1F)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.36
ICMT O60725 10/20 0.35
NTSR1 P30989 2/20 0.35
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
METTL3 Q86U44 1/20 0.33
METTL14 Q9HCE5 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MCL1 Q07820 1/20 0.32
ACMSD Q8TDX5 1/20 0.32

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
SCHEMBL7318525 0.88 NTSR1 (0.38) HTR6ICMTNTSR1MCL1ACMSD
SCHEMBL7305101 0.86 CYP19A1 (0.35) HTR6ICMTNTSR1GSK3AGSK3B
SCHEMBL7315194 0.84 HTR6 (0.36) HTR6ICMTNTSR1GSK3AGSK3B
SCHEMBL7316939 0.84 OPRM1 (0.36) HTR6ICMTNTSR1CNR1CNR2
SCHEMBL7320265 0.83 ICMT (0.45) HTR6ICMTMCL1
SCHEMBL7314992 0.82 TSPO (0.46) HTR6ICMTMCL1
SCHEMBL7314014 0.75 HTR6 (0.35) HTR6ICMTNTSR1CNR2GSK3A
SCHEMBL7307180 0.75 HTR6 (0.35) HTR6ICMTNTSR1MCL1ACMSD
SCHEMBL7306862 0.75 HTR6 (0.35) HTR6ICMTNTSR1GSK3AGSK3B
SCHEMBL7398662 0.73 MTNR1A (0.37) ICMTDPP4DPP9DPP7GSK3B

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 4503/4885ICMT 1459/4885NTSR1 3750/4885

“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.