SCHEMBL3087256

SCHEMBL3087256

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(CCN(C)C)Cc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.48
MMP12 P39900 1/20 0.48
NR1I2 O75469 5/20 0.42
RXRA P19793 1/20 0.39
SCN9A Q15858 2/20 0.39
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 4/20 0.36
SCN5A Q14524 2/20 0.36
SCARB1 Q8WTV0 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 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
SCHEMBL896350 0.91 PRKCA (0.58) PRKCAMMP12NR1I2SCN9ACYP3A4
Hydrochloric Acid SCHEMBL3085990 0.90 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL896122 0.90 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3084480 0.90 PRKCA (0.42) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3083577 0.90 KCNH2 (0.45) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3083720 0.90 PRKCA (0.42) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3090937 0.89 NR1I2 (0.47) PRKCAMMP12NR1I2SCN9A
SCHEMBL3097455 0.88 PRKCA (0.43) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL3074886 0.88 PRKCA (0.46) PRKCAMMP12NR1I2RXRASCN9A
SCHEMBL3084442 0.87 PRKCA (0.39) PRKCAMMP12NR1I2SCN9ACYP3A4

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 5 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-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-06-11 US disclosed
EP-1926733-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-06-04 EP disclosed
WO-2007029029-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO 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 (2 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 PRKCA 3874/4885MMP12 3319/4885NR1I2 144/4885
US-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, ZC3HAV1, ZC3HAV1L PRKCA 4063/4885MMP12 3442/4885NR1I2 142/4885

“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.