SCHEMBL3083645

SCHEMBL3083645

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CCN1CCOCC1)Cc1ccccc1-3

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 6/20 0.40
SCN9A Q15858 4/20 0.40
PRKCA P17252 1/20 0.40
MMP12 P39900 1/20 0.40
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ACHE P22303 1/20 0.36
FLT3 P36888 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL895847 0.91 PRKCA (0.46) NR1I2SCN9APRKCAMMP12CNR1
SCHEMBL3090937 0.89 NR1I2 (0.47) NR1I2NPSR1ALDH1A1SCN9APRKCA
SCHEMBL3080352 0.87 PRKCA (0.48) NR1I2NPSR1ALDH1A1SCN9APRKCA
SCHEMBL878127 0.85 PRKCA (0.46) NR1I2SCN9APRKCAMMP12ACHE
SCHEMBL4823223 0.83 NR1I2 (0.47) NR1I2NPSR1ALDH1A1SCN9APRKCA
SCHEMBL3074886 0.82 PRKCA (0.46) NR1I2NPSR1ALDH1A1SCN9APRKCA
SCHEMBL895570 0.81 NR1I2 (0.59) NR1I2SCN9APRKCAMMP12
SCHEMBL12429623 0.80 SCN9A (0.43) NR1I2NPSR1ALDH1A1SCN9APRKCA
SCHEMBL394064 0.80 NR1I2 (0.43) NR1I2NPSR1ALDH1A1SCN9APRKCA
SCHEMBL895934 0.79 PRKCA (0.49) NR1I2ALDH1A1SCN9APRKCAMMP12

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-7795247-B2 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-14 US disclosed
US-20060100262-A1 Tetracyclic indole derivatives as antiviral agents ISTITUTO DI RICHERCHEDI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IRMB) (IT) 2006-05-11 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-20060100262-A1 Tetracyclic indole derivatives as antiviral agents IDO1, ZC3HAV1, IDO2 NR1I2 144/4885NPSR1 244/4885ALDH1A1 634/4885

“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.