SCHEMBL3154404

SCHEMBL3154404

N[C@H]1CCN(c2ccccn2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.51
PRKCQ Q04759 1/20 0.51
PLD1 Q13393 1/20 0.50
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
USP30 Q70CQ3 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
AVPR1A P37288 1/20 0.46
PDE10A Q9Y233 1/20 0.45
HTR3E A5X5Y0 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL3153901 1.00 HRH4 (0.51) HRH4PRKCQPLD1DPP4DPP8
SCHEMBL3658830 1.00 HRH4 (0.51) HRH4PRKCQPLD1DPP4DPP8
Hydrochloric Acid SCHEMBL1402090 0.98 HRH4 (0.50) HRH4PRKCQPLD1DPP4DPP8
Hydrochloric Acid SCHEMBL1402092 0.98 HRH4 (0.50) HRH4PRKCQPLD1DPP4DPP8
SCHEMBL29683665 0.90 PRKCQ (0.53) HRH4PRKCQPLD1DPP4
SCHEMBL723065 0.90 PRKCQ (0.53) HRH4PRKCQPLD1DPP4
SCHEMBL29683564 0.89 PLD1 (0.58) PRKCQPLD1GRIN2DGRIN3BGRIN1
SCHEMBL243658 0.89 PLD1 (0.58) PRKCQPLD1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL243428 0.88 PLD1 (0.56) PRKCQPLD1GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL17557596 0.88 PLD1 (0.56) PRKCQPLD1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-2012759-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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 (4 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 HRH4 496/4885PRKCQ 2915/4885PLD1 1831/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 HRH4 887/4885PRKCQ 1241/4885PLD1 967/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 HRH4 887/4885PRKCQ 4645/4885PLD1 4767/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 HRH4 181/4885PRKCQ 2506/4885PLD1 2819/4885

“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.