SCHEMBL3249653

SCHEMBL3249653

Clc1ccc(OCC2CCNCC2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.63
SLC6A4 P31645 7/20 0.63
HTR3A P46098 2/20 0.63
KCNH2 Q12809 2/20 0.63
SLC6A3 Q01959 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
CYP2D6 P10635 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
KDM1A O60341 1/20 0.48
EP300 Q09472 1/20 0.46
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
F10 P00742 1/20 0.45
PRKCZ Q05513 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
SCHEMBL4321291 0.84 KDM4E (0.48) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL14312068 0.83 SLC6A2 (0.57) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
Hydrochloric Acid SCHEMBL4156097 0.83 KDM4E (0.47) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL3251238 0.81 TDP1 (0.68) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL26668494 0.80 SLC6A2 (0.71) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL14395941 0.77 SLC6A2 (0.63) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL2299904 0.77 KDM4E (0.42) SLC6A2SLC6A4KCNH2SLC6A3TDP1
SCHEMBL15155249 0.77 SLC6A2 (0.48) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL23012776 0.76 CHRNB2 (0.66) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL29495736 0.76 CHRNB2 (0.66) SLC6A2SLC6A4HTR3AKCNH2SLC6A3

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
CN-101973998-A Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARM INC 2011-02-16 CN disclosed
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
CN-1816551-A Pyrrolopyrimidine A2bSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2006-08-09 CN 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 1110/4885HTR3A 123/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 SLC6A2 1244/4885SLC6A4 1407/4885HTR3A 162/4885

“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.