SCHEMBL10154053

SCHEMBL10154053

CNC(=O)C1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.64
CTSK P43235 2/20 0.63
CTSB P07858 1/20 0.63
CTSS P25774 1/20 0.63
TSHR P16473 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
CTRB1 P17538 1/20 0.62
GFER P55789 1/20 0.61
ALDH1A1 P00352 2/20 0.60
KMT2A Q03164 2/20 0.60
FKBP1A P62942 1/20 0.60
TP53 P04637 1/20 0.59
MEN1 O00255 1/20 0.59
HSD17B10 Q99714 1/20 0.59
PRCP P42785 1/20 0.58
PREP P48147 1/20 0.58
KDM1A O60341 1/20 0.58
RCOR1 Q9UKL0 1/20 0.58

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
SCHEMBL26477642 0.96 NPSR1 (0.68) NPSR1CTSKTSHRL3MBTL1KDM4E
SCHEMBL8428146 0.96 NPSR1 (0.68) NPSR1CTSKTSHRL3MBTL1KDM4E
SCHEMBL8426716 0.96 NPSR1 (0.68) NPSR1CTSKTSHRL3MBTL1KDM4E
SCHEMBL630096 0.86 FKBP1A (0.71) NPSR1CTSKCTSBCTSSTSHR
SCHEMBL3578099 0.86 FKBP1A (0.71) NPSR1CTSKCTSBCTSSTSHR
SCHEMBL5717010 0.86 CTSK (0.61) NPSR1CTSKCTSBCTSSTSHR
SCHEMBL13119286 0.86 PREP (0.61) NPSR1CTSKCTSBCTSSTSHR
SCHEMBL14828710 0.86 PREP (0.61) NPSR1CTSKCTSBCTSSTSHR
SCHEMBL13500680 0.86 PREP (0.61) NPSR1CTSKCTSBCTSSTSHR
SCHEMBL82714 0.86 PREP (0.62) NPSR1CTSKCTSBCTSSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA NPSR1 3370/4885CTSK 3074/4885CTSB 2480/4885

“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.