SCHEMBL1792176

SCHEMBL1792176

COC(=O)c1cc(Cl)c(OCc2ccc(OC)cc2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSP90AA1 P07900 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CYP3A4 P08684 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
SMPD1 P17405 1/20 0.45

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
SCHEMBL4448654 0.90 HSP90AA1 (0.49) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1950402 0.89 MAOB (0.47) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1950961 0.89 MRGPRX4 (0.54) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3933561 0.88 ALDH1A1 (0.53) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2797704 0.87 HPGD (0.56) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3613914 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL2552600 0.82 SCN9A (0.51) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3467699 0.82 NPC1 (0.54) ALDH1A1KDM4ECYP1A2CYP2C19MAOB
SCHEMBL4212043 0.81 MAOB (0.58) ALDH1A1MAOAMAOBCYP3A4POLB
SCHEMBL4185038 0.81 KDM4E (0.58) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-05-26 US disclosed
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
EP-2120935-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-11-25 EP 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
US-7524856-B2 Tricyclic spiroderivatives as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US 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-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
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP 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
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ASTRAZENECA AB (SE) 2007-05-03 US disclosed
EP-1699791-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
WO-2005061499-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 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 (7 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 ALDH1A1 407/4885KDM4E 2805/4885CYP1A2 45/4885
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1465/4885KDM4E 2276/4885CYP1A2 945/4885
US-20070099945-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor acitivity ACKR3, CXCR1, CXCR2 ALDH1A1 707/4885KDM4E 4545/4885CYP1A2 1309/4885
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma GRK5, ADRB2, GRK2 ALDH1A1 1412/4885KDM4E 2432/4885CYP1A2 1109/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1375/4885KDM4E 2324/4885CYP1A2 888/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 ALDH1A1 648/4885KDM4E 4622/4885CYP1A2 998/4885
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 ALDH1A1 946/4885KDM4E 4477/4885CYP1A2 1621/4885

“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.