SCHEMBL3088937

SCHEMBL3088937

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCNCc1cc(F)ccc1-3

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.41
SCN9A Q15858 3/20 0.41
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 5/20 0.37
HTR2A P28223 1/20 0.36
PARP1 P09874 1/20 0.36
PRKCA P17252 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL3075589 0.89 PRKCA (0.42) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL3085163 0.89 SCN9A (0.42) NR1I2SCN9AALDH1A1ATMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3087552 0.85 PRKCA (0.41) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL3092618 0.85 NR1I2 (0.41) NR1I2SCN9AALDH1A1ATMSMN1; SMN2
SCHEMBL3085391 0.82 NR1I2 (0.46) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL3073381 0.80 NR1I2 (0.42) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL3084480 0.80 PRKCA (0.42) NR1I2SCN9AKCNH2PRKCAMMP12
SCHEMBL14253902 0.80 NR1I2 (0.47) NR1I2SCN9AALDH1A1ATMSMN1; SMN2
SCHEMBL3085776 0.79 NR1I2 (0.42) NR1I2SCN9AKCNH2
SCHEMBL3073408 0.79 NR1I2 (0.41) NR1I2SCN9AKCNH2

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 144/4885SCN9A 3788/4885ALDH1A1 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.