SCHEMBL1858138

SCHEMBL1858138

Cn1c(=O)n(CCCC(C)(C)[N+](=O)[O-])c2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCL6 P41182 5/20 0.38
▸ GRM2 Q14416 2/20 0.36
▸ PKM P14618 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPD P32754 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL1857716 0.82 GRM2 (0.39) BCL6GRM2HPD
Hydrochloric Acid SCHEMBL1858945 0.81 GRM2 (0.39) BCL6GRM2HPD
SCHEMBL1855269 0.77 TSHR (0.40) GRM2PKMCYP1A2
SCHEMBL1858227 0.71 GRM2 (0.63) GRM2PKMTP53SMN1; SMN2
SCHEMBL20568778 0.70 CYP1A2 (0.53) BCL6PKMCYP1A2
SCHEMBL13355033 0.68 SMN1; SMN2 (0.55) PKMTP53SMN1; SMN2
SCHEMBL31650745 0.68 SMN1; SMN2 (0.55) PKMTP53SMN1; SMN2
SCHEMBL20570547 0.68 CYP1A2 (0.53) BCL6PKMSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL31650705 0.67 SMN1; SMN2 (0.54) PKMTP53SMN1; SMN2
SCHEMBL16736514 0.67 CYP1A2 (0.56) GRM2PKMSMN1; SMN2CYP1A2

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 16 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

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 BCL6 4864/4885GRM2 682/4885PKM 1180/4885
US-20090306068-A1 NOVEL ENANTIOMERIC PURE BETA AGONISTS, MANUFACTURING AND USE AS A MEDICAMENTS THEREOF ADRB1, ADRB2, ADRA1B BCL6 4878/4885GRM2 980/4885PKM 1536/4885
US-20070249595-A1 Novel Enantiomeric Pure Beta Agonists, Manufacturing and Use as a Medicament Thereof ADRB1, ADRA1B, ADRA2B BCL6 4877/4885GRM2 840/4885PKM 1111/4885
US-20070203125-A1 Medicament Combinations for the Treatment of Respiratory Diseases CHRM1, CHRM2, MTNR1B BCL6 3967/4885GRM2 346/4885PKM 694/4885
US-20100297028-A1 MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES CHRM1, CHRM2, MTNR1B BCL6 3967/4885GRM2 346/4885PKM 694/4885

“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.

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