SCHEMBL3288368

SCHEMBL3288368

CCN(C)CC1CCCCN1C(=O)c1ccc(N2CC(NC(=O)c3ccc(Br)s3)CC2=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.41
POLB P06746 1/20 0.41
TP53 P04637 4/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
F10 P00742 3/20 0.37
ENPP2 Q13822 1/20 0.37
GAA P10253 1/20 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
SCHEMBL13376583 0.93 LMNA (0.42) LMNAPOLBTP53F10ENPP2
SCHEMBL3286661 0.91 LMNA (0.45) LMNAPOLBTP53ALDH1A1HPGD
SCHEMBL3286686 0.89 LMNA (0.41) LMNAPOLBTP53ALDH1A1HPGD
SCHEMBL3292038 0.89 LMNA (0.45) LMNAPOLBTP53ALDH1A1HPGD
SCHEMBL3287501 0.89 LMNA (0.44) LMNAPOLBTP53ALDH1A1HPGD
SCHEMBL2768204 0.89 LMNA (0.40) LMNAPOLBTP53HPGD
SCHEMBL3291724 0.89 LMNA (0.41) LMNAPOLBTP53ALDH1A1HPGD
SCHEMBL3291436 0.88 TP53 (0.42) LMNAPOLBTP53ALDH1A1HPGD
SCHEMBL3284659 0.88 TP53 (0.42) LMNAPOLBTP53ALDH1A1HPGD
SCHEMBL3286040 0.88 LMNA (0.41) LMNAPOLBTP53ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714000-B2 Substituted pyrrolidinones and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-7714000-B2 Substituted pyrrolidinones and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 US disclosed
US-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 US disclosed
WO-2006089909-A1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-31 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-20060217435-A1 New Substituted Pyrrolidinones and Their Use as Medicaments PYCR1, S100A9, REV1 LMNA 1767/4885POLB 124/4885TP53 3318/4885

“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.