SCHEMBL7315194

SCHEMBL7315194

CC(=O)N(Cc1ccncc1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
NTSR1 P30989 3/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NPY5R Q15761 3/20 0.33
ICMT O60725 2/20 0.33
FNTA P49354 3/20 0.33
FNTB P49356 3/20 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
CHEK1 O14757 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 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 0.93 NTSR1 (0.38) HTR6NTSR1ICMTMCL1ACMSD
SCHEMBL7314992 0.86 TSPO (0.46) HTR6ICMTMCL1ALDH1A1HPGD
SCHEMBL7316939 0.85 OPRM1 (0.36) HTR6NTSR1ICMTGSK3AGSK3B
SCHEMBL7320265 0.85 ICMT (0.45) HTR6ICMTMCL1
SCHEMBL7312233 0.84 HTR6 (0.36) HTR6NTSR1ICMTGSK3AGSK3B
SCHEMBL7305101 0.83 CYP19A1 (0.35) HTR6NTSR1ICMTGSK3AGSK3B
SCHEMBL7314014 0.80 HTR6 (0.35) HTR6NTSR1CYP11B1CYP11B2ICMT
SCHEMBL7306862 0.78 HTR6 (0.35) HTR6NTSR1CYP11B1CYP11B2ICMT
SCHEMBL7307180 0.75 HTR6 (0.35) HTR6NTSR1ICMTMCL1ACMSD
SCHEMBL7396398 0.72 FNTA (0.38) HTR6FNTAFNTBMCL1ACMSD

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 3750/4885CYP11B1 4565/4885

“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.