SCHEMBL1787230

SCHEMBL1787230

CCOC(=O)N1CCC(C#N)(Nc2ccccc2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.41
APP P05067 4/20 0.41
KDM1A O60341 1/20 0.41
HTT P42858 1/20 0.41
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 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
SCHEMBL23024458 0.85 GPR119 (0.47) TSHR
SCHEMBL29604434 0.85 GPR119 (0.47) TSHR
SCHEMBL21383795 0.83 SMN1; SMN2 (0.41) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL11046085 0.77 MAPT (0.47) LMNAMAPTKDM4EKMT2APOLB
SCHEMBL21384070 0.75 SMN1; SMN2 (0.39) SMN1; SMN2POLBALDH1A1GAA
SCHEMBL17140624 0.73 SMN1; SMN2 (0.42) LMNAMAPTSMN1; SMN2KDM4EKMT2A
SCHEMBL15461517 0.72 ALDH1A1 (0.45) MAPTSMN1; SMN2KDM4EKMT2APOLB
SCHEMBL12315527 0.72 SMN1; SMN2 (0.56) MAPTSMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL3278422 0.72 CA12 (0.56) MAPTAPPALDH1A1TSHR
SCHEMBL8268114 0.71 GPR119 (0.44) LMNA

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 3 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
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
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

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

For each of this compound's patents that has machine-readable text (1 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-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 LMNA 2860/4885MAPT 4382/4885SMN1; SMN2 4159/4885

“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.