SCHEMBL3676230

SCHEMBL3676230

COc1cc(O)c(NC(C)=O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 5/20 0.49
KDM4E B2RXH2 5/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46
NOD2 Q9HC29 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL6814630 0.84 MAPT (0.58) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL6815577 0.84 MAPT (0.58) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL30668842 0.83 SMN1; SMN2 (0.67) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL9298896 0.83 SMN1; SMN2 (0.67) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL9730411 0.83 LMNA (0.61) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL3678080 0.83 ALDH1A1 (0.58) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL3164622 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL11690785 0.82 NPC1 (0.53) ALDH1A1MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL10891532 0.81 ALDH1A1 (0.55) ALDH1A1MAPTKDM4ETSHRSMN1; SMN2
SCHEMBL15358007 0.81 KDM4E (0.54) ALDH1A1MAPTKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922074-B1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA. ASTRAZENECA AB (SE) 2010-02-17 EP disclosed
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090215732-A1 COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-20090062322-A1 Novel Tricyclic Spiropiperidines or Spiropyrrolidines ASTRAZENECA AB (SE) 2009-03-05 US disclosed
WO-2008136754-A1 NOVEL BENZYL - 2 -OXO-PIPERAZINYL/ 7-OXO/5-OXA- [1,4] DIAZEPANYL/ 2 -OXO- TETRAHYDROPYRIMIDINYL DERIVATIVES ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
US-7449475-B2 Tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2008-11-11 US disclosed
CN-101296701-A A combination of compounds, which can be used in the treatment of respiratory diseases, especially chronic obstructive pulmonary disease (COPD) and asthma ASTRAZENECA AB (SE) 2008-10-29 CN disclosed
CN-101296698-A Combination of compounds for the treatment of respiratory diseases, in particular Chronic Obstructive Pulmonary Disease (COPD) and asthma ASTRAZENECA AB (SE) 2008-10-29 CN disclosed
US-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1922070-A1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2008-05-21 EP disclosed
EP-1912942-A1 NOVEL PIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF RESPIRATORY DISEASES. AstraZeneca AB (SE) 2008-04-23 EP disclosed
EP-1521757-B1 TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2008-01-30 EP disclosed
WO-2007024183-A1 A COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2007-03-01 WO disclosed
WO-2007015664-A1 NOVEL PIPERIDINE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS USEFUL FOR THE TREATMENT OF RESPIRATORY DISEASES. ASTRAZENECA AB (SE) 2007-02-08 WO disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US 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 1465/4885MAPT 4171/4885KDM4E 2276/4885
US-20090215732-A1 COMBINATION OF COMPOUNDS, WHICH CAN BE USED IN THE TREATMENT OF RESPIRATORY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA NR3C1, NR3C2, CHRM3 ALDH1A1 876/4885MAPT 4355/4885KDM4E 1457/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 ALDH1A1 1375/4885MAPT 4115/4885KDM4E 2324/4885
US-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ACKR3, CCR5, CCR2 ALDH1A1 809/4885MAPT 4766/4885KDM4E 4782/4885
US-20090298875-A1 A Combination of Compounds, Which Can be Used in the Treatment of Respiratory Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ADRB2, ADRB1, CHRM2 ALDH1A1 1195/4885MAPT 3576/4885KDM4E 2112/4885

“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.