SCHEMBL6400993

SCHEMBL6400993

COc1ccc2cccc(C(=O)n3ccc4ccccc43)c2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.55
CNR2 P34972 7/20 0.54
CNR1 P21554 2/20 0.48
MAPT P10636 1/20 0.48
TUBB1 Q9H4B7 1/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FABP4 P15090 1/20 0.46
ALDH1A1 P00352 3/20 0.46
NOTUM Q6P988 1/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL6331989 0.90 MAPT (0.51) MTNR1ACNR2CNR1MAPTTUBB1
SCHEMBL6331985 0.90 CNR2 (0.54) MTNR1ACNR2CNR1MAPTTUBB1
SCHEMBL21777692 0.81 TSHR (0.60) CNR2CNR1MAPTRAB9ATSHR
SCHEMBL31435515 0.79 RAB9A (0.63) TUBB1RAB9ATSHRL3MBTL1ALDH1A1
SCHEMBL3327762 0.75 MTNR1A (0.70) MTNR1ACNR2MAPTRAB9AL3MBTL1
SCHEMBL10856546 0.75 MTNR1A (0.70) MTNR1ACNR2ALDH1A1HPGDMAOB
SCHEMBL31392475 0.75 MTNR1A (0.70) MTNR1ACNR2ALDH1A1HPGDMAOB
SCHEMBL29140999 0.74 MTNR1A (0.68) MTNR1ACNR2ALDH1A1KDM4E
SCHEMBL22956030 0.73 OXER1 (0.50) CNR2MAPTRAB9ATSHRL3MBTL1
SCHEMBL830122 0.73 MTNR1A (0.67) MTNR1ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009903-A1 CB2-selective cannabinoid analogues CLEMSON UNIVERSITY 2005-01-13 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-20050009903-A1 CB2-selective cannabinoid analogues CNR2, CNR1, GPR68 MTNR1A 25/4885CNR2 1/4885CNR1 2/4885

“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.