SCHEMBL3371124

SCHEMBL3371124

CC(C)(N)CCn1cncn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.44
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 3/20 0.37
UGT1A4 P22310 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP3A4 P08684 1/20 0.37
FDPS P14324 1/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL10721461 0.83 EGLN3 (0.47) EGLN3ALDH1A1MAPTSMN1; SMN2CYP19A1
SCHEMBL14723248 0.76 EGLN3 (0.44) EGLN3ALDH1A1MAPTSMN1; SMN2CYP19A1
SCHEMBL13017117 0.76 EGLN3 (0.44) EGLN3ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL20142982 0.75 EGLN3 (0.47) EGLN3ALDH1A1MAPTSMN1; SMN2CYP19A1
SCHEMBL13017154 0.73 EGLN3 (0.42) EGLN3ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL14003700 0.73 MEN1 (0.42) EGLN3ALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL855088 0.72
SCHEMBL45842 0.72
SCHEMBL17159811 0.71 EGLN3 (0.56) EGLN3ALDH1A1MAPTSMN1; SMN2CYP19A1
SCHEMBL10338984 0.71 EGLN3 (0.56) EGLN3ALDH1A1MAPTSMN1; SMN2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295112-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-09-21 US disclosed
US-20230295112-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-09-21 US disclosed
US-20220048885-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-02-17 US disclosed
US-11078182-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-03 US disclosed
US-20200172508-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-04 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
EP-1720546-B1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2010-09-01 EP disclosed
US-7511067-B2 3-hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 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
US-7405232-B2 Long acting beta-2 agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-29 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
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOUYSSOU THIERRY 2008-06-05 US 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
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-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-2005077361-A1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-25 WO 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 (7 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 EGLN3 3094/4885ALDH1A1 1938/4885MAPT 3550/4885
US-20220048885-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH EGLN3 423/4885ALDH1A1 543/4885MAPT 3447/4885
US-20200172508-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH EGLN3 423/4885ALDH1A1 543/4885MAPT 3447/4885
US-11078182-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH EGLN3 423/4885ALDH1A1 543/4885MAPT 3447/4885
US-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases PAH, CYP11B1, CYP11B2 EGLN3 9/4885ALDH1A1 272/4885MAPT 4330/4885
US-20230295112-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH EGLN3 423/4885ALDH1A1 543/4885MAPT 3447/4885
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES PAH, CYP1A1, CYP11B1 EGLN3 11/4885ALDH1A1 281/4885MAPT 4138/4885

“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.