SCHEMBL17675010

SCHEMBL17675010

CC(C)CCn1ccn2c(C3CCOCC3)nnc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 12/20 0.49
PDE1B Q01064 11/20 0.49
PDE1A P54750 10/20 0.49
HSD11B1 P28845 1/20 0.40
GRM2 Q14416 5/20 0.37

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
SCHEMBL17674939 0.82 PDE1C (0.45) PDE1CPDE1BPDE1AHSD11B1GRM2
SCHEMBL19458491 0.79 PDE1B (0.50) PDE1CPDE1BPDE1AHSD11B1
SCHEMBL17675029 0.78 PDE1C (0.65) PDE1CPDE1BPDE1AHSD11B1
SCHEMBL17674992 0.77 PDE1C (0.66) PDE1CPDE1BPDE1AHSD11B1
SCHEMBL17674981 0.77 PDE1C (0.66) PDE1CPDE1BPDE1AHSD11B1
SCHEMBL17674857 0.71 PDE1C (0.70) PDE1CPDE1BPDE1AHSD11B1
SCHEMBL17674846 0.69 PDE1C (0.43) PDE1CPDE1BPDE1AHSD11B1
SCHEMBL19458556 0.68 ADORA3 (0.51) PDE1CPDE1BPDE1AHSD11B1
Hydrochloric Acid SCHEMBL17674881 0.67 ADORA3 (0.50) PDE1CPDE1BPDE1AHSD11B1
SCHEMBL17675037 0.66 PDE1B (0.51) PDE1CPDE1BPDE1AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3204387-B1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2019-06-12 EP claimed
US-10150771-B2 Triazolopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-12-11 US claimed
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-19 US claimed
EP-3204387-B1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2019-06-12 EP disclosed
EP-3204387-B1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2019-06-12 EP disclosed
US-10150771-B2 Triazolopyrazinones as PDE1 inhibitors H. LUNDBECK A/S (DK) 2018-12-11 US disclosed
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-19 US disclosed
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-19 US disclosed
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors H. LUNDBECK A/S (DK) 2017-10-19 US disclosed
EP-3204387-A1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2017-08-16 EP disclosed
WO-2016055618-A1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2016-04-14 WO disclosed
WO-2016055618-A1 TRIAZOLOPYRAZINONES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2016-04-14 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-10150771-B2 Triazolopyrazinones as PDE1 inhibitors PDE5A, PDE4A, PDE12 PDE1C 15/4885PDE1B 12/4885PDE1A 10/4885
US-20170298072-A1 Triazolopyrazinones as PDE1 Inhibitors PDE5A, PDE4A, PDE12 PDE1C 15/4885PDE1B 12/4885PDE1A 10/4885

“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.