SCHEMBL3680301

SCHEMBL3680301

CCC(=O)Nc1cc(Cl)c(OC)cc1OCC1(C)CO1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
AHR P35869 1/20 0.42

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
SCHEMBL3680300 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HPGDPOLBKMT2A
SCHEMBL15434035 0.82 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2HPGDKMT2ARXFP1
SCHEMBL3678080 0.74 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HPGDKMT2AHTT
SCHEMBL7130005 0.73 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDPOLBKMT2A
SCHEMBL31570092 0.73 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDPOLBKMT2A
SCHEMBL21765855 0.70 HTT (0.72) ALDH1A1SMN1; SMN2POLBKMT2AHTT
SCHEMBL3309810 0.70 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HPGDPOLBKMT2A
SCHEMBL14267041 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDKMT2AKDM4E
SCHEMBL4187570 0.69 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HPGDPOLBKMT2A
SCHEMBL4216922 0.68 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBKMT2AHTT

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 6 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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 876/4885SMN1; SMN2 3812/4885HPGD 373/4885
US-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ACKR3, CCR5, CCR2 ALDH1A1 809/4885SMN1; SMN2 3256/4885HPGD 377/4885
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 1195/4885SMN1; SMN2 2762/4885HPGD 1010/4885

“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.