SCHEMBL4094606

SCHEMBL4094606

COc1ccc(-c2ccnc(Cl)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.66
ROCK1 Q13464 2/20 0.50
ROCK2 O75116 1/20 0.50
CLK4 Q9HAZ1 1/20 0.48
CTSD P07339 1/20 0.48
BACE1 P56817 1/20 0.48
FDPS P14324 1/20 0.48
NPC1 O15118 2/20 0.46
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
S1PR1 P21453 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL31288165 1.00 DYRK1A (0.66) DYRK1AROCK1ROCK2CLK4CTSD
SCHEMBL1681493 0.84 APP (0.61) DYRK1AROCK1ROCK2CLK4CTSD
SCHEMBL17930597 0.82 DYRK1A (0.59) DYRK1AROCK1ROCK2CLK4NPC1
SCHEMBL19065361 0.80 CYP11B1 (0.55) DYRK1AROCK1ROCK2BACE1CYP3A4
SCHEMBL4027001 0.79 IDO1 (0.55) ROCK2CLK4S1PR1MAP4K4
SCHEMBL4084384 0.79 DYRK1A (1.00) DYRK1AROCK1ROCK2CLK4FDPS
SCHEMBL13469251 0.79 S1PR1 (0.70) NPC1KDM4ES1PR1TP53CASP3
SCHEMBL3997395 0.79 DYRK1A (0.54) DYRK1AS1PR1
SCHEMBL28796964 0.79 LTA4H (0.50) DYRK1AROCK1ROCK2NPC1RAB9A
SCHEMBL27849397 0.79 DYRK1A (0.71) DYRK1AROCK1ROCK2CLK4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134707-A1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2018-05-17 US disclosed
US-9884865-B2 Azaspiro[4.5] decane derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-02-06 US disclosed
US-20160207923-A1 AZASPIRO[4.5] DECANE DERIVATIVES AND USE THEREOF PURDUE PHARMA L.P. 2016-07-21 US disclosed
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
EP-1874746-B1 DERIVATIVES OF 1-N-AZACYCLOALKYL-3-PHENOXYPROPANE USEFUL FOR THE PREPARATION OF PSYCHOTROPIC MEDICAMENTS BIOPROJET SOC CIV (FR) 2015-11-18 EP disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
WO-2008076046-A1 NOVEL 2-AMINO-5, 5-DIARYL-IMIDAZOL-4-ONES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
EP-1874746-A2 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117609-A2 PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS BIOPROJET (FR) 2006-11-09 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 (3 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 DYRK1A 1070/4885ROCK1 2648/4885ROCK2 3000/4885
US-20180134707-A1 AZASPIRO[4.5]DECANE DERIVATIVES AND USE THEREOF TRPV1, SCN5A, TRPA1 DYRK1A 819/4885ROCK1 1972/4885ROCK2 2131/4885
US-20160207923-A1 AZASPIRO[4.5] DECANE DERIVATIVES AND USE THEREOF TRPV1, SCN1A, SCN5A DYRK1A 841/4885ROCK1 1767/4885ROCK2 2100/4885

“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.