SCHEMBL13374867

SCHEMBL13374867

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
CTRB1 P17538 1/20 0.59
GFER P55789 1/20 0.59
CTSK P43235 1/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 2/20 0.57
TP53 P04637 1/20 0.57
MEN1 O00255 1/20 0.57
HSD17B10 Q99714 1/20 0.56
PRCP P42785 1/20 0.56

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
SCHEMBL3560163 1.00 PREP (0.61) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL394623 0.96 CTSK (0.59) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL3691433 0.89 PREP (0.63) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL13389110 0.88 TSHR (0.65) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL12747395 0.87 PREP (0.66) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL13503289 0.87 PREP (0.66) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL12747355 0.87 PREP (0.66) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL14948306 0.87 TSHR (0.62) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL4724457 0.85 PREP (0.67) PREPNPSR1TSHRL3MBTL1KDM4E
SCHEMBL630112 0.85 PREP (0.67) PREPNPSR1TSHRL3MBTL1KDM4E

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-8288371-B2 Ortho pyrrolidine, benzyl-substituted heterocycle CCR1 antagonists for autoimmune diseases and inflammation PHARMACOPEIA, LLC (US) 2012-10-16 US disclosed
US-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION PHARMACOPEIA, INC. (US) 2009-04-09 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-20090093472-A1 ORTHO PYRROLIDINE, BENZYL-SUBSTITUTED HETEROCYCLE CCR1 ANTAGONISTS FOR AUTOIMMUNE DISEASES & INFLAMMATION CCR1, CCR4, CCR3 PREP 296/4885NPSR1 502/4885TSHR 1685/4885

“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.