SCHEMBL1856433

SCHEMBL1856433

CC(C)(N)CCCn1c(=O)[nH]c2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
POLB P06746 1/20 0.57
RAB9A P51151 1/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56
KMT2A Q03164 2/20 0.56
HTR7 P34969 5/20 0.51
P2RX7 Q99572 4/20 0.50
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL739035 0.91 MEN1 (0.59) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL30947438 0.83 LMNA (0.78) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL739301 0.82 MEN1 (0.63) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL10833938 0.82 CYP1A2 (0.63) LMNAHPGDALDH1A1MAPTTSHR
Trifluoroacetic Acid SCHEMBL4607803 0.82 MEN1 (0.49) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL28775863 0.81 LMNA (0.52) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL891454 0.80 LMNA (0.69) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL6902600 0.80 RAB9A (0.72) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL738053 0.79 MEN1 (0.59) LMNAHPGDALDH1A1MAPTTSHR
SCHEMBL1838349 0.79 RAB9A (0.70) LMNAHPGDALDH1A1MAPTTSHR

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 20 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-7939658-B2 Enantiomeric pure beta agonists, manufacturing and use as a medicaments thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-10 US disclosed
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-25 US disclosed
US-20090306068-A1 NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-10 US disclosed
US-7534789-B2 Enantiomeric pure β agonists, manufacturing and use as a medicament thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-19 US disclosed
EP-1996581-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-03 EP 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
WO-2007104772-A9 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2007-11-22 WO disclosed
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 US disclosed
WO-2007104772-A1 NOVEL ENANTIOMERICALLY PURE BETA-AGONISTS, METHOD FOR THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO 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
US-4363814-A VASODILATORS AND CNS STIMULANTS BOEHRINGER INGELHEIM GMBH (DE) 1982-12-14 US disclosed
US-4271158-A Vasodilating or antidepressant phenalkanolaminoalkyl-substituted imidazolidinones BOEHRINGER INGELHEIM GMBH (US) 1981-06-02 US disclosed
US-4215119-A VASODILATORS, ANTIDEPRESSANTS BOEHRINGER INGELHEIM GMBH (DE) 1980-07-29 US disclosed
US-4154829-A ANTIDEPRESSANT, VASODILATION BOEHRINGER INGELHEIM GMBH (DE) 1979-05-15 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 (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-20060063817-A1 New betamimetics for the treatment of respiratory complaints CHRM1, ADRB1, ADRA1B LMNA 269/4885HPGD 1383/4885ALDH1A1 1726/4885
US-20090306068-A1 NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF ADRB1, ADRB2, ADRA1B LMNA 413/4885HPGD 1694/4885ALDH1A1 2339/4885
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof ADRB1, ADRA1B, ADRA2B LMNA 416/4885HPGD 1651/4885ALDH1A1 2222/4885
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases CHRM1, CHRM2, MTNR1B LMNA 245/4885HPGD 792/4885ALDH1A1 993/4885
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM1, CHRM2, MTNR1B LMNA 245/4885HPGD 792/4885ALDH1A1 993/4885

“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.