SCHEMBL3933536

SCHEMBL3933536

COc1ccc(Cl)cc1CC1(O)CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.46
PROKR1 Q8TCW9 2/20 0.46
KDM4E B2RXH2 2/20 0.46
EPHX2 P34913 1/20 0.45
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
RAB9A P51151 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
MAPT P10636 1/20 0.41
RBP4 P02753 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15537089 0.90 FPR2 (0.56) FPR2PROKR1KDM4EEPHX2ENPP2
SCHEMBL4223748 0.86 CYP2D6 (0.46) KDM4EALDH1A1CYP46A1MEN1KMT2A
SCHEMBL3931364 0.85 ANO1 (0.44) FPR2PROKR1KDM4EALDH1A1MAPK1
SCHEMBL1094025 0.79 KDM4E (0.54) KDM4EALDH1A1MAPK1TDP1FFAR4
SCHEMBL15536965 0.79 FPR2 (0.53) FPR2PROKR1EPHX2ENPP2ALDH1A1
SCHEMBL15537181 0.77 FPR2 (0.55) FPR2PROKR1KDM4EEPHX2ALDH1A1
SCHEMBL16657604 0.76 FPR2 (0.52) FPR2PROKR1KDM4EEPHX2ALDH1A1
SCHEMBL30027758 0.76 FPR2 (0.52) FPR2PROKR1KDM4EEPHX2ALDH1A1
SCHEMBL15537084 0.74 EPHX2 (0.53) FPR2PROKR1EPHX2ALDH1A1CYP46A1
SCHEMBL28123147 0.72 ALDH1A1 (0.52) EPHX2ALDH1A1MAPK1RAB9ACYP46A1

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
EP-2069355-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-06-17 EP claimed
WO-2009011653-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATES AND THEIR US IN THE SYNTHESIS OF SPIROPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-01-22 WO claimed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US claimed
WO-2008010765-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-01-24 WO claimed
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
EP-2069355-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-06-17 EP disclosed
WO-2009011653-A1 A PROCESS FOR THE PREPARATION OF INTERMEDIATES AND THEIR US IN THE SYNTHESIS OF SPIROPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
WO-2008010765-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2008-01-24 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-20080167332-A1 Novel Compounds 243 UGT1A10, ABCG2, VKORC1L1 FPR2 2183/4885PROKR1 753/4885KDM4E 2805/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 FPR2 1224/4885PROKR1 35/4885KDM4E 4622/4885

“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.