SCHEMBL3246702

SCHEMBL3246702

c1ccc(CCCN2CCCNCC2)cc1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.87
LTA4H P09960 1/20 0.64
GRIN2B Q13224 1/20 0.59
POLB P06746 1/20 0.57
CXCR4 P61073 2/20 0.56
SLC6A3 Q01959 1/20 0.56
HRH3 Q9Y5N1 1/20 0.55

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
Hydrochloric Acid SCHEMBL7986308 0.98 SIGMAR1 (0.84) SIGMAR1LTA4HGRIN2BPOLBCXCR4
SCHEMBL14058336 0.95 SIGMAR1 (0.79) SIGMAR1LTA4HGRIN2BCXCR4SLC6A3
SCHEMBL457139 0.93 SIGMAR1 (1.00) SIGMAR1LTA4HPOLB
SCHEMBL10677264 0.93 SIGMAR1 (1.00) SIGMAR1LTA4HPOLB
SCHEMBL20676401 0.92 SIGMAR1 (0.96) SIGMAR1LTA4HPOLB
Hydrochloric Acid SCHEMBL7554612 0.92 SIGMAR1 (0.96) SIGMAR1LTA4HPOLB
SCHEMBL8668531 0.90 SLC6A3 (0.70) SIGMAR1CXCR4SLC6A3HRH3
Hydrochloric Acid SCHEMBL7983455 0.89 SLC6A3 (0.68) SIGMAR1CXCR4SLC6A3HRH3
SCHEMBL3251614 0.88 SIGMAR1 (0.90) SIGMAR1GRIN2BPOLB
SCHEMBL20676123 0.85 SIGMAR1 (0.84) SIGMAR1GRIN2BPOLB

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 SIGMAR1 38/4885LTA4H 2483/4885GRIN2B 15/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 SIGMAR1 102/4885LTA4H 2434/4885GRIN2B 44/4885

“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.