SCHEMBL3251306

SCHEMBL3251306

N#Cc1cccc(OCC2CCNCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.72
SLC6A4 P31645 7/20 0.72
SLC6A3 Q01959 4/20 0.72
HTR3A P46098 2/20 0.68
KCNH2 Q12809 2/20 0.68
KDM1A O60341 5/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAOB P27338 1/20 0.52
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50

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
SCHEMBL1848360 0.91 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL26668494 0.87 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL2301711 0.86 SLC6A4 (0.58) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL13837634 0.84 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL3159146 0.83 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL3244911 0.82 SLC6A2 (0.77) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL796789 0.82 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL3605627 0.81 MET (0.52) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
Hydrochloric Acid SCHEMBL1475614 0.80 TDP1 (0.70) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL16787789 0.80 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3HTR3AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
EP-1467995-A4 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-12-07 EP disclosed
EP-1467995-A2 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 US disclosed
WO-2003053361-A2 PYRROLOPYRIMIDINE A2b SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B SLC6A2 1187/4885SLC6A4 1110/4885SLC6A3 782/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 SLC6A2 1244/4885SLC6A4 1407/4885SLC6A3 1440/4885

“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.