SCHEMBL1037764

SCHEMBL1037764

Cc1nc(-c2ccc(C(F)(F)F)cc2)nn1CCC(C)(C)N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.43
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
AHR P35869 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
THRB P10828 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
LIPE Q05469 1/20 0.37
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL1041122 0.86 RAB9A (0.40) TDP2LMNAALDH1A1KDM4ENPC1
SCHEMBL14293751 0.84 NR1H3 (0.34) TDP2LMNAALDH1A1NPC1RAB9A
SCHEMBL1040692 0.84 NR1H3 (0.47) TDP2ADORA3ADORA2ALMNAALDH1A1
SCHEMBL14133758 0.84 KDM4C (0.39) TDP2ADORA3ADORA2AKDM4ENPC1
SCHEMBL1041124 0.82 TGM2 (0.46) ADORA3ADORA2AALDH1A1KDM4ENPC1
SCHEMBL4850742 0.81 ALDH1A1 (0.42) TDP2ADORA3ADORA2ALMNAALDH1A1
SCHEMBL1036911 0.78 HRH4 (0.34) HRH4KCNH2
SCHEMBL3058684 0.78 BCHE (0.40) TDP2ADORA3ADORA2ALMNAALDH1A1
SCHEMBL1041001 0.74 MAPK9 (0.46) ALDH1A1KDM4ERAB9AMAPTSMN1; SMN2
SCHEMBL13596187 0.72 NR1H3 (0.49) TDP2ADORA3ADORA2ALMNAALDH1A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051714-B1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-04-13 EP disclosed
EP-2051714-B1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-04-13 EP disclosed
EP-1853596-B1 NOVEL, LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-01-26 EP disclosed
EP-1853596-B1 NOVEL, LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-01-26 EP disclosed
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
EP-1720546-B1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2010-09-01 EP disclosed
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-7423036-B2 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-09 US disclosed
US-7405232-B2 Long acting beta-2 agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-29 US disclosed
WO-2008017637-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed
WO-2008017637-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed
WO-2008017638-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed
WO-2008017638-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed
EP-1720546-A1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-15 EP disclosed
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-08-24 US disclosed
US-20050197374-A1 New long acting beta-2 agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-08 US disclosed
WO-2005077361-A1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-25 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 (4 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-20050197374-A1 New long acting beta-2 agonists and their use as medicaments ADRB2, ADRA2A, ADRA2C TDP2 2635/4885ADORA3 99/4885ADORA2A 80/4885
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints ADRA1A, ADRA1D, ADRA2A TDP2 2647/4885ADORA3 59/4885ADORA2A 96/4885
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES NDUFA1, NDUFA6, NDUFA3 TDP2 3068/4885ADORA3 143/4885ADORA2A 221/4885
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION ADRB1, ADRA1A, ADRB2 TDP2 3573/4885ADORA3 30/4885ADORA2A 46/4885

“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.