SCHEMBL17604246

SCHEMBL17604246

O=c1[nH]c(CCl)nc2c1nnn2C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.50
PDE5A O76074 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE9A O76083 7/20 0.43
HPGD P15428 4/20 0.37
ADORA2A P29274 3/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
ACHE P22303 1/20 0.33
ALDH1A1 P00352 1/20 0.33
USP2 O75604 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL17604145 0.84 PDE1C (0.45) PDE1CPDE5APDE1APDE1BPDE9A
SCHEMBL17604369 0.75 GRIA1 (0.58) PDE1CPDE5APDE1APDE1BPDE9A
SCHEMBL17604293 0.75 PDE9A (0.73) PDE1CPDE9AACHE
SCHEMBL17604104 0.74 ALDH1A1 (0.47) PDE1CPDE5APDE1APDE1BPDE9A
SCHEMBL14768701 0.71 PDE5A (0.38) PDE1CPDE5APDE1APDE1BADORA2A
SCHEMBL14768666 0.64 PDE5A (0.40) PDE1CPDE5APDE1APDE1BHPGD
SCHEMBL24165809 0.63 PNP (0.41) PDE1CPDE5APDE1APDE1BTSHR
SCHEMBL21138862 0.63 KDM1A (0.40) PDE1CPDE5APDE1APDE1BADORA2A
SCHEMBL21138340 0.63 PDE5A (0.38) PDE1CPDE5APDE1APDE1BHPGD
SCHEMBL14709136 0.60 KDM1A (0.58) PDE1CPDE5APDE1APDE1BADORA2A

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 PDE1C 14/4885PDE5A 2/4885PDE1A 12/4885

“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.