SCHEMBL2909117

SCHEMBL2909117

CN1CCN(C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.44
MMP12 P39900 1/20 0.44
PTGS2 P35354 1/20 0.42
EGFR P00533 1/20 0.42
TYMS P04818 1/20 0.42
LTA4H P09960 1/20 0.42
VDR P11473 1/20 0.42
SRC P12931 1/20 0.42
MAPK1 P28482 1/20 0.42
CTSK P43235 1/20 0.42
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.38
SCN9A Q15858 3/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
CHRM3 P20309 1/20 0.37
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 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
Trifluoroacetic Acid SCHEMBL5436676 0.95 PRKCA (0.42) PRKCAMMP12PTGS2EGFRTYMS
SCHEMBL5441855 0.91 SCN9A (0.41) PRKCAMMP12PTGS2EGFRTYMS
SCHEMBL5446231 0.90 KMT2A (0.42) PRKCAMMP12EGFRTYMSLTA4H
SCHEMBL5439046 0.89 PRKCA (0.44) PRKCAMMP12PTGS2EGFRTYMS
SCHEMBL5447343 0.89 NR1I2 (0.44) PTGS2EGFRTYMSLTA4HVDR
SCHEMBL5198409 0.87 GRIN2B (0.43) PRKCAMMP12PTGS2EGFRTYMS
SCHEMBL5436680 0.87 MAPT (0.40) PRKCAMMP12PTGS2EGFRTYMS
SCHEMBL5436992 0.86 PRKCA (0.40) PRKCAMMP12SCN9ATSHR
SCHEMBL5448433 0.86 POLB (0.49) PRKCAMMP12HTTNPSR1POLB
SCHEMBL5436329 0.86 EPHX2 (0.41) PRKCAMMP12PTGS2MAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795250-B2 Indole derivatives as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-09-14 US disclosed
EP-1758857-B1 INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2010-08-18 EP disclosed
US-20080261944-A1 Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2008-10-23 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-20080261944-A1 Indole Derivatives as Antiviral Agents IDO1, IDO2, IRF3 PRKCA 4296/4885MMP12 3802/4885PTGS2 3429/4885

“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.