SCHEMBL7314992

SCHEMBL7314992

COc1cccc(CN(C(C)=O)n2cc(CCN)c3cc(-c4cccc5ccccc45)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 8/20 0.46
HTR6 P50406 2/20 0.45
MCL1 Q07820 1/20 0.40
BAD Q92934 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PLA2G4A P47712 1/20 0.39
POLB P06746 1/20 0.39
ICMT O60725 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 1/20 0.38
ADRB2 P07550 1/20 0.38
KMT2A Q03164 1/20 0.38

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 0.91 NTSR1 (0.38) TSPOHTR6MCL1BADICMT
SCHEMBL7320265 0.86 ICMT (0.45) HTR6MCL1BADICMT
SCHEMBL7315194 0.86 HTR6 (0.36) HTR6MCL1ALDH1A1ICMTHPGD
SCHEMBL7316939 0.83 OPRM1 (0.36) HTR6MCL1BADALDH1A1POLB
SCHEMBL7312233 0.82 HTR6 (0.36) HTR6MCL1ICMT
SCHEMBL7305101 0.81 CYP19A1 (0.35) TSPOHTR6MCL1BADICMT
SCHEMBL7306862 0.74 HTR6 (0.35) HTR6MCL1BADICMTADRB2
SCHEMBL7392200 0.74 MTNR1A (0.47) TSPOHTR6KDM4EALDH1A1POLB
SCHEMBL7314014 0.73 HTR6 (0.35) HTR6MCL1ALDH1A1ICMTNPSR1
SCHEMBL7318171 0.73 HDAC8 (0.39) TSPOHTR6MCL1BADKDM4E

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 TSPO 2336/4885HTR6 4503/4885MCL1 696/4885

“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.