SCHEMBL1041541

SCHEMBL1041541

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4C Q9H3R0 1/20 0.39
TP53 P04637 3/20 0.38
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NR1H3 Q13133 1/20 0.34
HTT P42858 1/20 0.34
CYP17A1 P05093 1/20 0.34
AHR P35869 1/20 0.34
HRH4 Q9H3N8 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
SCHEMBL1041122 0.89 RAB9A (0.40) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL1037764 0.86 TDP2 (0.43) RAB9ANPC1SMN1; SMN2TP53ADORA3
SCHEMBL1040692 0.86 NR1H3 (0.47) RAB9ANPC1SMN1; SMN2TP53ADORA3
SCHEMBL1036911 0.86 HRH4 (0.34) HRH4
SCHEMBL14133758 0.86 KDM4C (0.39) RAB9ANPC1SMN1; SMN2KDM4CTP53
SCHEMBL14293751 0.86 NR1H3 (0.34) RAB9ANPC1SMN1; SMN2NR1H3HRH4
SCHEMBL13597002 0.85 KCNH2 (0.36) ADORA2AADORA1MAPTNR1H3CYP17A1
SCHEMBL1041124 0.84 TGM2 (0.46) RAB9ANPC1SMN1; SMN2KDM4CTP53
SCHEMBL3051245 0.80 TP53 (0.41) RAB9ANPC1SMN1; SMN2KDM4CTP53
SCHEMBL3368421 0.76 MEN1 (0.40) RAB9ASMN1; SMN2TP53HTTGAA

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 32 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
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-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOUYSSOU THIERRY 2008-06-05 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-1706389-A1 3-HYDROXYMETHYL-4-HYDROXY-PHENYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY ILLNESSES Boehringer Ingelheim International GmbH (DE) 2006-10-04 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-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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-2005066140-A1 3-HYDROXYMETHYL-4-HYDROXY-PHENYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-21 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 (6 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 RAB9A 3247/4885NPC1 2095/4885SMN1; SMN2 1639/4885
US-20060189607-A1 Long-acting betamimetics for the treatment of respiratory complaints ADRA1A, ADRA1D, ADRA2A RAB9A 2109/4885NPC1 1493/4885SMN1; SMN2 477/4885
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES NDUFA1, NDUFA6, NDUFA3 RAB9A 2320/4885NPC1 319/4885SMN1; SMN2 1289/4885
US-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases PAH, CYP11B1, CYP11B2 RAB9A 3364/4885NPC1 1202/4885SMN1; SMN2 1960/4885
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES PAH, CYP1A1, CYP11B1 RAB9A 2619/4885NPC1 1180/4885SMN1; SMN2 2240/4885
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION ADRB1, ADRA1A, ADRB2 RAB9A 1903/4885NPC1 893/4885SMN1; SMN2 1409/4885

“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.