SCHEMBL4463590

SCHEMBL4463590

CC[C@H](NC(=O)c1c(C)noc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.42
CTSG P08311 1/20 0.42
PREP P48147 2/20 0.40
FAP Q12884 2/20 0.40
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
XIAP P98170 2/20 0.38
CMA1 P23946 11/20 0.37
F10 P00742 1/20 0.37
CALCRL Q16602 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
SCHEMBL6276559 0.93 ELANE (0.44) ELANECTSGDPP4DPP8DPP9
SCHEMBL4457003 0.92 ELANE (0.46) ELANECTSGCMA1
SCHEMBL4463484 0.91 ELANE (0.53) ELANECTSGCMA1
SCHEMBL6285044 0.81 ELANE (0.42) ELANECTSGDPP4DPP8DPP9
SCHEMBL6279789 0.78 ELANE (0.53) ELANECTSGCMA1
SCHEMBL6276132 0.75 ELANE (0.57) ELANECTSGCMA1
SCHEMBL5969313 0.70 ELANE (0.63) ELANECTSGCMA1
SCHEMBL5552336 0.67 CTSL (0.54) DPP4DPP8DPP9CMA1F10
SCHEMBL6678314 0.66 ELANE (0.47) ELANECTSGCMA1
SCHEMBL6803099 0.65 ELANE (0.44) ELANECTSGCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852744-B2 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US claimed
US-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-05-27 US claimed
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
US-6852744-B2 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2005-02-08 US disclosed
US-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-05-27 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 (2 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-20040102384-A1 Pyrrolidine derivatives and their use as chymase inhibitor CMA1, CTRL, TPSD1 ELANE 634/4885CTSG 71/4885PREP 7/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR ELANE 2176/4885CTSG 1249/4885PREP 1417/4885

“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.