SCHEMBL8489014

SCHEMBL8489014

COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CN1C(=O)c1ccc2c(c1)CN(C)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.48
F10 P00742 9/20 0.42
ANPEP P15144 5/20 0.42
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL13394894 0.94 MMP2 (0.46) MMP2F10ANPEPLMNAMAPK1
SCHEMBL13394885 0.91 MMP2 (0.48) MMP2F10ANPEPLMNAMAPK1
SCHEMBL3314623 0.91 F10 (0.42) MMP2F10ANPEPLMNAMAPK1
SCHEMBL4582629 0.86 F10 (0.40) MMP2F10LMNAMAPK1KMT2A
SCHEMBL14044948 0.85 F10 (0.46) MMP2F10ANPEPLMNAMAPK1
SCHEMBL3310232 0.85 F10 (0.46) MMP2F10ANPEPLMNAMAPK1
SCHEMBL14045006 0.84 F10 (0.44) MMP2F10LMNAMAPK1KMT2A
SCHEMBL8489431 0.83 F10 (0.44) MMP2F10LMNAMAPK1KMT2A
SCHEMBL13394931 0.83 F10 (0.44) MMP2F10LMNAMAPK1KMT2A
SCHEMBL13394921 0.82 F10 (0.50) MMP2F10ANPEPLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP 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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD MMP2 4163/4885F10 2924/4885ANPEP 1659/4885

“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.