SCHEMBL13329669

SCHEMBL13329669

C=CCOC(=O)c1ccc2c(c1)c1c(n2CC=C)CCN(C)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.51
CNR2 P34972 2/20 0.51
HDAC6 Q9UBN7 7/20 0.47
HDAC1 Q13547 5/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL13328925 0.86 CNR1 (0.55) CNR1CNR2HDAC6HDAC1MAOA
SCHEMBL13360832 0.84 KRAS (0.51) CNR1CNR2HDAC6HDAC1
SCHEMBL2187186 0.77 HDAC1 (0.57) HDAC6HDAC1MAOAMAOBALDH1A1
SCHEMBL13328922 0.76 HTR6 (0.48) CNR1MAOAMAOB
SCHEMBL13328924 0.76 HTR6 (0.48) HDAC6HDAC1MAOAMAOB
SCHEMBL4139584 0.75 ADRA2A (0.61) HDAC6HDAC1KDM4EALDH1A1POLB
SCHEMBL13329671 0.74 HDAC6 (0.41) CNR1CNR2HDAC6HDAC1MAOA
SCHEMBL4134103 0.74 HDAC6 (0.58) HDAC6HDAC1KDM4EALDH1A1POLB
SCHEMBL13329673 0.74 CNR1 (0.40) CNR1CNR2HDAC6HDAC1MAOA
SCHEMBL13360755 0.72 KRAS (0.53) CNR1CNR2HDAC6HDAC1

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-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 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-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885HDAC6 2650/4885

“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.