SCHEMBL3300896

SCHEMBL3300896

C[C@H]1Cc2cc(C(=O)N3C[C@H](NC(=O)c4ccc(Cl)s4)C[C@H]3C(=O)N(C)C)ccc2CN1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.39
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP2 P08253 1/20 0.34
F2 P00734 1/20 0.33
F11 P03951 1/20 0.33
BCAT2 O15382 1/20 0.32

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
SCHEMBL3311791 1.00 F10 (0.39) F10MAPK1LMNAKMT2AMMP2
Dimethylamine SCHEMBL3338057 0.89 F10 (0.37) F10MAPK1LMNAKMT2AMMP2
SCHEMBL13394931 0.88 F10 (0.44) F10MAPK1LMNAKMT2AMMP2
SCHEMBL8489431 0.88 F10 (0.44) F10MAPK1LMNAKMT2AMMP2
SCHEMBL13394928 0.87 F10 (0.44) F10MAPK1LMNAKMT2AMMP2
SCHEMBL4441713 0.87 F10 (0.35) F10MAPK1LMNAKMT2AMMP2
SCHEMBL4583712 0.87 F10 (0.35) F10MAPK1LMNAKMT2AMMP2
SCHEMBL3314623 0.81 F10 (0.42) F10MAPK1LMNAKMT2AMMP2
SCHEMBL8489014 0.79 MMP2 (0.48) F10MAPK1LMNAKMT2AMMP2
SCHEMBL14044948 0.78 F10 (0.46) F10MAPK1LMNAKMT2AMMP2

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 7 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-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
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

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 F10 2924/4885MAPK1 2494/4885LMNA 3711/4885

“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.