SCHEMBL7307180

SCHEMBL7307180

CC(=O)N(c1ccccc1C1CC1)n1cc(CCN)c2cc(-c3cccc4ccccc34)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.35
ICMT O60725 5/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
HTR2C P28335 1/20 0.34
NTSR1 P30989 2/20 0.34
TLR4 O00206 1/20 0.33
KRAS P01116 1/20 0.32
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
PPARG P37231 4/20 0.31
PPARA Q07869 4/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MAPK1 P28482 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
SCHEMBL7314014 0.79 HTR6 (0.35) HTR6ICMTHTR2CNTSR1MCL1
SCHEMBL7306862 0.78 HTR6 (0.35) HTR6ICMTHTR2CNTSR1TLR4
SCHEMBL7318525 0.77 NTSR1 (0.38) HTR6ICMTNTSR1MCL1ACMSD
SCHEMBL7312233 0.75 HTR6 (0.36) HTR6ICMTNTSR1MCL1ACMSD
SCHEMBL7315194 0.75 HTR6 (0.36) HTR6ICMTNTSR1MCL1ACMSD
SCHEMBL7316939 0.74 OPRM1 (0.36) HTR6ICMTNTSR1MCL1ACMSD
SCHEMBL7305101 0.73 CYP19A1 (0.35) HTR6ICMTNTSR1MCL1
SCHEMBL7314992 0.73 TSPO (0.46) HTR6ICMTMCL1
SCHEMBL7320265 0.72 ICMT (0.45) HTR6ICMTMCL1PPARG
Trifluoroacetic Acid SCHEMBL7318294 0.66 NTSR1 (0.45) HTR6ICMTNTSR1MCL1PPARG

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 1459/4885EDNRB 3961/4885

“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.