SCHEMBL3266597

SCHEMBL3266597

OC1(c2ccccc2-c2ccccc2Cl)CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.51
DRD2 P14416 3/20 0.46
PDK2 Q15119 5/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
HTR7 P34969 3/20 0.37
ADRB1 P08588 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
EPHB3 P54753 1/20 0.35

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
SCHEMBL652087 0.86 SIGMAR1 (0.57) SIGMAR1DRD2OPRM1OPRD1OPRK1
SCHEMBL1513548 0.79 SIGMAR1 (0.50) SIGMAR1DRD2PDK2OPRM1OPRD1
SCHEMBL2270695 0.77 SIGMAR1 (0.47) SIGMAR1DRD2PDK2OPRM1OPRD1
SCHEMBL2267923 0.77 SIGMAR1 (0.51) SIGMAR1DRD2OPRM1OPRD1OPRK1
SCHEMBL4703446 0.76 SIGMAR1 (0.48) SIGMAR1DRD2OPRM1OPRD1OPRK1
SCHEMBL1660350 0.76 SIGMAR1 (0.62) SIGMAR1DRD2OPRM1HTR2AHTR2C
SCHEMBL8086598 0.76 SIGMAR1 (0.46) SIGMAR1DRD2PDK2OPRM1OPRD1
Hydrochloric Acid SCHEMBL3253626 0.75 SIGMAR1 (0.40) SIGMAR1PDK2OPRM1OPRD1HTR7
Hydrochloric Acid SCHEMBL3551702 0.75 SIGMAR1 (0.45) SIGMAR1DRD2PDK2OPRM1OPRD1
SCHEMBL1513275 0.74 DRD2 (0.55) SIGMAR1DRD2OPRM1OPRD1OPRK1

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 38/4885DRD2 169/4885PDK2 2181/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 SIGMAR1 102/4885DRD2 190/4885PDK2 3916/4885

“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.