SCHEMBL4224751

SCHEMBL4224751

O=C(C1CCCN1C(=O)OCc1ccccc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.62
CTRB1 P17538 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.52
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL4224747 1.00 PREP (0.62) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL11262909 0.91 PREP (0.69) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL11262912 0.91 PREP (0.69) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL488745 0.89 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL488744 0.89 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8750854 0.89 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8750947 0.89 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL6384850 0.89 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8750859 0.89 PREP (0.68) PREPCTRB1NPSR1TSHRL3MBTL1
SCHEMBL8161155 0.88 PREP (0.67) PREPCTRB1NPSR1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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 (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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 PREP 4682/4885CTRB1 1594/4885NPSR1 141/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 PREP 3082/4885CTRB1 1167/4885NPSR1 474/4885

“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.