SCHEMBL3081040

SCHEMBL3081040

CN(C)CC(=O)N1CCn2c(c(C3CCCCC3)c3ccc(C(=O)O)cc32)-c2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.54
MMP12 P39900 1/20 0.54
NR1I2 O75469 6/20 0.47
KDM4E B2RXH2 2/20 0.42
SCN9A Q15858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NLRP3 Q96P20 1/20 0.36
KCNH2 Q12809 4/20 0.35
SCN5A Q14524 2/20 0.35
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL3098580 0.91 NR1I2 (0.47) PRKCAMMP12NR1I2KDM4ESCN9A
SCHEMBL3086408 0.89 PRKCA (0.46) PRKCAMMP12NR1I2KDM4ESCN9A
SCHEMBL4143716 0.89 PRKCA (0.42) PRKCAMMP12NR1I2KDM4ESCN9A
SCHEMBL4143720 0.89 PRKCA (0.42) PRKCAMMP12NR1I2KDM4ESCN9A
SCHEMBL896350 0.85 PRKCA (0.58) PRKCAMMP12NR1I2KDM4ESCN9A
Hydrochloric Acid SCHEMBL3085990 0.84 PRKCA (0.57) PRKCAMMP12NR1I2KDM4ESCN9A
SCHEMBL3085838 0.84 PRKCA (0.51) PRKCAMMP12NR1I2KDM4ESCN9A
SCHEMBL896122 0.84 PRKCA (0.57) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL772286 0.82 PRKCA (0.54) PRKCAMMP12NR1I2SCN9ACYP3A4
SCHEMBL2156306 0.82 KDM4E (0.42) PRKCAMMP12NR1I2KDM4ELIPG

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 PRKCA 3874/4885MMP12 3319/4885NR1I2 144/4885

“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.