SCHEMBL13360801

SCHEMBL13360801

C=CCn1c2c(c3cc(NC)ccc31)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 4/20 0.55
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CNR1 P21554 10/20 0.44
CNR2 P34972 2/20 0.44
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
BAZ2B Q9UIF8 3/20 0.42

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
SCHEMBL13360755 0.86 KRAS (0.53) KRASHDAC1HDAC6CNR1CNR2
SCHEMBL13360832 0.83 KRAS (0.51) KRASHDAC1HDAC6CNR1CNR2
SCHEMBL3310724 0.81 CNR1 (0.70) KRASHDAC1HDAC6CNR1CNR2
SCHEMBL13360756 0.79 KRAS (0.47) KRASHDAC1HDAC6CNR1CNR2
SCHEMBL13328924 0.79 HTR6 (0.48) HDAC1HDAC6
SCHEMBL3312822 0.78 CNR1 (0.59) KRASHDAC1HDAC6CNR1CNR2
SCHEMBL6422016 0.77 HDAC1 (0.54) KRASHDAC1HDAC6
SCHEMBL3083804 0.74 PTGDR2 (0.68) KRASHDAC1HDAC6AKR1B10AKR1B1
SCHEMBL3090435 0.73 PTGDR2 (0.67) KRASHDAC1HDAC6AKR1B10AKR1B1
SCHEMBL3085456 0.73 KRAS (0.67) KRASHDAC1HDAC6AKR1B10AKR1B1

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 KRAS 1248/4885HDAC1 1291/4885HDAC6 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.