SCHEMBL1787083

SCHEMBL1787083

COC(=O)c1cc(Cl)c(OCc2ccc(OC)cc2)cc1OC[C@@H]1CO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.44
SCN9A Q15858 2/20 0.43
PKM P14618 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
HTT P42858 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
SCHEMBL4751869 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4174879 0.91 ALDH1A1 (0.47) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3932510 0.91 ALDH1A1 (0.47) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4189521 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4177944 0.88 KDM4E (0.44) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4555820 0.88 KDM4E (0.44) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4191981 0.85 ALDH1A1 (0.52) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4216417 0.85 SMPD1 (0.47) ALDH1A1KDM4ECYP1A2CYP2C19LMNA
SCHEMBL4754155 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL1953789 0.81 ALDH1A1 (0.46) 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 14 patents. 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-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
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
WO-2008103126-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) 2008-08-28 WO disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP 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 (5 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-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-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.