SCHEMBL4867574

SCHEMBL4867574

CC(C)C(NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)Cn1cnnn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.54
TSHR P16473 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.49
PRCP P42785 1/20 0.48
GFER P55789 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PREP P48147 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
ELANE P08246 1/20 0.46
CTSK P43235 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CTSL P07711 1/20 0.46
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46

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
SCHEMBL4872662 0.85 CTRB1 (0.54) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL7315812 0.83 CTRB1 (0.67) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL24224270 0.82 CTRB1 (0.66) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL4873339 0.80 ATM (0.49) LMNAKMT2AMEN1ELANECTSK
SCHEMBL8395473 0.80 CTRB1 (0.73) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL8248799 0.80 CTRB1 (0.73) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL8247594 0.80 CTRB1 (0.73) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL7322957 0.80 CTRB1 (0.62) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL29599350 0.80 CTRB1 (0.62) CTRB1TSHRL3MBTL1KDM4ELMNA
SCHEMBL14158156 0.79 ELANE (0.46) ELANE

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-6900207-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-31 US claimed
US-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-08-14 US claimed
EP-1254901-A1 NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 US disclosed
US-7390804-B2 N-containing five-membered ring compounds and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-24 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-20030153508-A1 Nitrogen-containing 5-membered cyclic compounds and drugs containing these compounds as the active ingredient ACIN1, CASP7, CASP10 CTRB1 475/4885TSHR 1639/4885L3MBTL1 925/4885

“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.