SCHEMBL3306403

SCHEMBL3306403

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
F10 P00742 13/20 0.41
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3308716 0.86 F10 (0.47) MAPK1F10GAAKMT2ALMNA
SCHEMBL3309110 0.85 F10 (0.41) MAPK1F10GAAKMT2ALMNA
SCHEMBL3307560 0.84 F10 (0.46) MAPK1F10KMT2A
SCHEMBL3305479 0.82 F10 (0.41) MAPK1F10GAAKMT2ALMNA
SCHEMBL3314611 0.81 F10 (0.45) MAPK1F10GAAKDM4EALDH1A1
SCHEMBL3309130 0.80 F10 (0.46) MAPK1F10KMT2ALMNARAB9A
SCHEMBL3309132 0.80 F10 (0.46) MAPK1F10KMT2ALMNARAB9A
SCHEMBL3304020 0.80 F10 (0.40) MAPK1F10ALDH1A1KMT2ALMNA
SCHEMBL3309070 0.79 F10 (0.42) MAPK1F10GAAKMT2ALMNA
SCHEMBL4440745 0.78 MAPK1 (0.41) MAPK1F10KMT2ALMNA

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 2 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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD MAPK1 2494/4885F10 2924/4885GAA 504/4885

“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.