SCHEMBL6787939

SCHEMBL6787939

COc1ccc(OC)c(CC2c3c(OC)ccc(OC)c3CCN2CC(=O)NC2CCc3ccccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.64
HCRTR2 O43614 6/20 0.63
MAPT P10636 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL6794825 0.87 HCRTR1 (0.58) HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL6787462 0.87 HCRTR1 (0.80) HCRTR1HCRTR2MAPTPDE4APDE4B
SCHEMBL6788253 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL6788800 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL6376211 0.82 HCRTR1 (0.50) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL6375167 0.81 HCRTR1 (0.60) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL6787308 0.80 HCRTR1 (0.84) HCRTR1HCRTR2
SCHEMBL6792342 0.80 HCRTR1 (0.78) HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL6789132 0.80 HCRTR1 (0.78) HCRTR1HCRTR2MAPTSMN1; SMN2
SCHEMBL6787109 0.78 HCRTR1 (1.00) HCRTR1HCRTR2

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-6703392-B2 OREXIN RECEPTOR ANTAGONISTS FOR OBESITY OR SLEEPING DISORDER TREATMENT ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-09 US disclosed
US-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2003-09-18 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-20030176415-A1 1,2,3,4-tetrahydroisoquinoline derivatives HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885MAPT 1858/4885

“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.