SCHEMBL6501083

SCHEMBL6501083

COc1cc(OC)cc(C2CCN(C(=O)C3CCc4ccccc4C(=O)C3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.46
HSD11B1 P28845 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MTNR1B P49286 3/20 0.40
MTNR1A P48039 2/20 0.40
ADAM17 P78536 1/20 0.40
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
LMNA P02545 2/20 0.39
MGLL Q99685 1/20 0.39
CHRM4 P08173 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 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
SCHEMBL6493038 0.86 BACE1 (0.46) HTR7HSD11B1
SCHEMBL6497782 0.82 HTR7 (0.67) HTR7MEN1KMT2AALDH1A1PTGDR2
SCHEMBL6490738 0.81 ADAMTS5 (0.46) MEN1KMT2ACHRM4
SCHEMBL6489969 0.81 BACE1 (0.41) HTR7MEN1KMT2AMGLLHPGD
SCHEMBL6493917 0.81 RAB9A (0.46) HTR7ALDH1A1CHRM4RAB9AHPGD
SCHEMBL6501091 0.79 HTR7 (0.48) HTR7HSD11B1MEN1KMT2AMGLL
SCHEMBL6494275 0.79 SMN1; SMN2 (0.48) HTR7ALDH1A1LMNARAB9A
SCHEMBL6075908 0.78 KMT2A (0.48) HTR7HSD11B1MEN1KMT2AALDH1A1
SCHEMBL6498974 0.78 KMT2A (0.47) HTR7HSD11B1MEN1KMT2AALDH1A1
SCHEMBL6504218 0.78 HTR7 (0.47) HTR7MEN1KMT2AALDH1A1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969724-B2 Compounds SMITHKLINE BEECHAM-SPA (GB) 2005-11-29 US disclosed
US-20040024218-A1 Novel compounds SMITHKLINE BEECHAM SPA 2004-02-05 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-20040024218-A1 Novel compounds OXER1, CLIC1, CCR1 HTR7 1189/4885HSD11B1 1133/4885MEN1 3540/4885

“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.