SCHEMBL1355458

SCHEMBL1355458

O=C(c1ccc2cc[nH]c2c1)N1CCCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.71
MAPK14 Q16539 2/20 0.62
HPGD P15428 8/20 0.58
ALDH1A1 P00352 6/20 0.58
HSD17B10 Q99714 3/20 0.58
KDM4E B2RXH2 2/20 0.58
ENPP2 Q13822 1/20 0.58
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.51
ALOX12 P18054 1/20 0.51
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL29944074 1.00 GHSR (0.71) GHSRMAPK14HPGDALDH1A1HSD17B10
SCHEMBL29944365 0.89 MAPK14 (0.63) GHSRMAPK14HPGDALDH1A1NPC1
SCHEMBL3457123 0.89 MAPK14 (0.63) GHSRMAPK14HPGDALDH1A1NPC1
SCHEMBL2214616 0.89 MAPK14 (0.63) GHSRMAPK14HPGDALDH1A1NPC1
SCHEMBL8534513 0.88 MAPK14 (0.64) GHSRMAPK14HPGDALDH1A1NPC1
SCHEMBL30226931 0.88 MAPK14 (0.64) GHSRMAPK14HPGDALDH1A1NPC1
SCHEMBL3235960 0.86 GHSR (0.67) GHSRMAPK14HPGDALDH1A1HSD17B10
SCHEMBL17443852 0.86 GHSR (0.75) GHSRMAPK14HPGDALDH1A1HSD17B10
SCHEMBL29990457 0.86 GHSR (0.67) GHSRMAPK14HPGDALDH1A1HSD17B10
SCHEMBL31428636 0.85 GHSR (0.65) GHSRMAPK14HPGDALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029393-B2 Adenosine receptor ligands and uses thereof KALDI PHARMA, SAS (FR) 2015-05-12 US disclosed
EP-2391625-B1 New adenosine receptor ligands and uses thereof DOMAIN THERAPEUTICS (FR) 2013-05-01 EP disclosed
EP-2391625-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF Domain Therapeutics (FR) 2011-12-07 EP disclosed
US-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2011-11-24 US disclosed
WO-2010084425-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF DOMAIN THERAPEUTICS (FR) 2010-07-29 WO disclosed
EP-2210891-A1 New adenosine receptor ligands and uses thereof Domain Therapeutics (FR) 2010-07-28 EP 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-20110288074-A1 NEW ADENOSINE RECEPTOR LIGANDS AND USES THEREOF ADORA2A, ADORA1, ADORA2B GHSR 590/4885MAPK14 3670/4885HPGD 1536/4885

“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.