SCHEMBL933406

SCHEMBL933406

CN(C)CCN1CCN(c2ccc(C=O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
TRIM24 O15164 1/20 0.53
TRIM33 Q9UPN9 1/20 0.53
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH3 Q9Y5N1 2/20 0.42
HTR7 P34969 4/20 0.41
DRD2 P14416 2/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL21561087 0.81 MAPT (0.58) HTR7DRD2SIGMAR1
SCHEMBL377522 0.80 ALDH1A1 (0.63) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL4438019 0.80 MAPT (0.62) ALDH1A1KDM4ESMN1; SMN2HTR7DRD2
SCHEMBL6151797 0.80 MAPT (0.62) ALDH1A1KDM4ESMN1; SMN2HTR7DRD2
SCHEMBL15599350 0.80 HTR7 (0.51) HTR7DRD2SIGMAR1
SCHEMBL8779336 0.80 ALDH1A1 (0.62) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL5356967 0.79 ALDH1A1 (0.66) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL14393753 0.79 ALDH1A1 (0.61) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL19057548 0.79 ALDH1A1 (0.61) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL1983610 0.78 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2

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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO 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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL ALDH1A1 1657/4885TRIM24 1930/4885TRIM33 3552/4885

“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.