SCHEMBL3931364

SCHEMBL3931364

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FPR2 P25090 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
RAB9A P51151 1/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
KDM4E B2RXH2 1/20 0.42
STS P08842 2/20 0.41
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 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
SCHEMBL30027758 0.91 FPR2 (0.52) ANO1MEN1KMT2AFPR2PROKR1
SCHEMBL16657604 0.91 FPR2 (0.52) ANO1MEN1KMT2AFPR2PROKR1
SCHEMBL14137905 0.88 PDE4B (0.42) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL3860636 0.88 GPR119 (0.44) PDE4APDE4BPDE4CPDE4DSTS
SCHEMBL13604812 0.87 CYP3A4 (0.46) ANO1MEN1KMT2AFPR2PROKR1
SCHEMBL3933536 0.85 FPR2 (0.46) MEN1KMT2AFPR2PROKR1RAB9A
SCHEMBL14103726 0.84 ABCB1 (0.41) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL20137751 0.84 CYP2D6 (0.52)
SCHEMBL15537036 0.83 FPR2 (0.49) ANO1MEN1KMT2AFPR2PROKR1
SCHEMBL1095800 0.81 KDM4E (0.49) MEN1KMT2ARAB9APDE4APDE4B

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101553493-A Novel tricyclic spiropiperidine compounds, their synthesis and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-10-07 CN claimed
CN-101553493-B Tricyclic spiropiperidine compounds, their synthesis and their use as modulators of chemokine receptor activity ASTRAZENECA AB 2012-07-04 CN disclosed
CN-101553493-A Novel tricyclic spiropiperidine compounds, their synthesis and their use as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-10-07 CN disclosed
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
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
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-2009011655-A1 SPLROPIPERIDINE COMPOUNDS, A PROCESS OF THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THE TREATMENT OF AIRWAY DISEASES, INFLAMMATORY DISEASES, COPD OR ASTHMA ASTRAZENECA AB (SE) 2009-01-22 WO 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
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
WO-2009011655-A1 SPLROPIPERIDINE COMPOUNDS, A PROCESS OF THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THE TREATMENT OF AIRWAY DISEASES, INFLAMMATORY DISEASES, COPD OR ASTHMA ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US disclosed
US-20080167332-A1 Novel Compounds 243 ASTRAZENECA AB (SE) 2008-07-10 US 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
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 ANO1 2817/4885MEN1 787/4885KMT2A 4089/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 ANO1 967/4885MEN1 3073/4885KMT2A 4666/4885

“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.