SCHEMBL3249336

SCHEMBL3249336

Cc1cccnc1C1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
GPR119 Q8TDV5 5/20 0.48
PKLR P30613 1/20 0.48
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
DTYMK P23919 1/20 0.45
SYK P43405 1/20 0.42
NAMPT P43490 2/20 0.42
GRM5 P41594 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
AKT1 P31749 1/20 0.41

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
SCHEMBL5824222 0.90 POLB (0.44) POLBGPR119PKLROPRD1OPRK1
SCHEMBL4013541 0.88 POLB (0.56) POLBGPR119PKLROPRD1OPRK1
SCHEMBL3436213 0.88 POLB (0.50) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL3787005 0.88 POLB (0.50) POLBGPR119PKLROPRD1OPRK1
SCHEMBL5479635 0.86 POLB (0.51) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL12701930 0.86 POLB (0.48) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL5467346 0.86 PKLR (0.52) POLBGPR119PKLROPRD1OPRK1
SCHEMBL22792894 0.83 POLB (0.48) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL3555626 0.83 POLB (0.48) POLBGPR119OPRD1OPRK1DTYMK
SCHEMBL3662831 0.83 POLB (0.48) POLBGPR119OPRD1OPRK1DTYMK

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 4 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
US-20070135423-A1 E-fluoro-4-(pyridin-2-yl)-piperidine-1-carboxamide derivatives and related compounds which modulate the function of the vanilloid-1 receptor (vr1) for the treatment of pain MERCK SHARP & DOHME LTD. (GB) 2007-06-14 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 (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 POLB 1729/4885GPR119 263/4885PKLR 3460/4885
US-20070135423-A1 E-fluoro-4-(pyridin-2-yl)-piperidine-1-carboxamide derivatives and related compounds which modulate the function of the vanilloid-1 receptor (vr1) for the treatment of pain OPRL1, HVCN1, TRPV1 POLB 4785/4885GPR119 1500/4885PKLR 2753/4885

“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.