SCHEMBL3765765

SCHEMBL3765765

CC(C)(N)CCn1c(=O)n(Cc2ccccc2)c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.48
GSK3B P49841 2/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48
KMT2A Q03164 2/20 0.46
C5AR1 P21730 1/20 0.46
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PKM P14618 1/20 0.44
P2RX4 Q99571 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 1/20 0.43
MAPT P10636 3/20 0.43

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
SCHEMBL1865108 0.81 CYP1A2 (0.53) KMT2AL3MBTL1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4918750 0.80 CYP1A2 (0.51) KMT2AL3MBTL1LMNASMN1; SMN2
SCHEMBL5119106 0.80 GAA (0.48) KMT2AC5AR1HPGDKDM4EL3MBTL1
SCHEMBL3752895 0.79 SMN1; SMN2 (0.43) KMT2AC5AR1KDM4EL3MBTL1LMNA
SCHEMBL3755469 0.77 CNR2 (0.46) HPGDKDM4E
SCHEMBL1863037 0.76 KMT2A (0.61) GSK3AGSK3BKMT2AC5AR1HPGD
SCHEMBL11196780 0.75 KDM4E (0.49) GSK3AGSK3BCCNB2CDK1CCNB1
SCHEMBL15826887 0.73 SMN1; SMN2 (0.71) KMT2AHPGDKDM4EL3MBTL1LMNA
SCHEMBL4870762 0.73 KMT2A (0.61) KMT2AL3MBTL1P2RX4LMNASMN1; SMN2
SCHEMBL8985073 0.73 GSK3B (0.67) GSK3AGSK3BCCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794154-B1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2013-02-27 EP disclosed
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
EP-1986644-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES Boehringer Ingelheim International GmbH (DE) 2008-11-05 EP disclosed
US-7429583-B2 Betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-30 US disclosed
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 US disclosed
WO-2007093608-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-23 WO disclosed
EP-1794154-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-06-13 EP disclosed
WO-2006032627-A1 HETEROARYL COMPOUNDS FOR USE AS BETAMIMETICS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-30 WO disclosed
US-20060063817-A1 New betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 US 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-20060063817-A1 New betamimetics for the treatment of respiratory complaints CHRM1, ADRB1, ADRA1B GSK3A 2150/4885GSK3B 1898/4885CCNB2 1143/4885
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases CHRM1, CHRM2, MTNR1B GSK3A 2696/4885GSK3B 3042/4885CCNB2 813/4885
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM1, CHRM2, MTNR1B GSK3A 2696/4885GSK3B 3042/4885CCNB2 813/4885

“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.