SCHEMBL17604369

SCHEMBL17604369

O=c1[nH]c(CCl)nc2c1ncn2C1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.58
GRIA2 P42262 1/20 0.58
GRIA3 P42263 1/20 0.58
GRIA4 P48058 1/20 0.58
PDE5A O76074 3/20 0.53
PDE1A P54750 3/20 0.53
PDE1B Q01064 3/20 0.53
PDE1C Q14123 3/20 0.53
IMPDH2 P12268 1/20 0.49
PI4KA P42356 3/20 0.42
PI4K2B Q8TCG2 3/20 0.42
PI4K2A Q9BTU6 3/20 0.42
PI4KB Q9UBF8 3/20 0.42
ADORA2A P29274 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
PNP P00491 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HCAR1 Q9BXC0 4/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7430898 0.82 GRIA1 (0.62) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL17604230 0.80 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL14743926 0.80 GRIA1 (0.62) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL7431961 0.80 GRIA1 (0.62) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL4522031 0.76 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL17604246 0.75 PDE1C (0.50) PDE5APDE1APDE1BPDE1CADORA2A
SCHEMBL17604293 0.71 PDE9A (0.73) PDE1CPDE9A
SCHEMBL30947415 0.69 PDE1A (0.59) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL2520262 0.69 HCAR1 (0.52) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL6473284 0.68 ADORA2A (0.54) GRIA1GRIA2GRIA3GRIA4PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US 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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A GRIA1 2687/4885GRIA2 3067/4885GRIA3 3277/4885

“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.