SCHEMBL3058686

SCHEMBL3058686

Cc1ccc(-c2nc(C)n(CCC(C)(C)N(C(=O)O)C(C)(C)C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALDH1A1 P00352 5/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ACHE P22303 4/20 0.36
LIPE Q05469 3/20 0.36
BCHE P06276 3/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 4/20 0.35
PKM P14618 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TSHR P16473 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
SCHEMBL4427852 0.91 TP53 (0.37) F2KDM4EPOLBALDH1A1RAB9A
SCHEMBL3050933 0.91 NR1H3 (0.42) F2KDM4EPOLBNR1H2NR1H3
SCHEMBL3058684 0.89 BCHE (0.40) KDM4EALDH1A1RAB9AACHELIPE
SCHEMBL3060864 0.84 XPO1 (0.32) PDE10A
SCHEMBL4020084 0.80 RAB9A (0.44) F2KDM4EPOLBNR1H2NR1H3
SCHEMBL3049169 0.76 HSD17B10 (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2ACHE
SCHEMBL1041122 0.76 RAB9A (0.40) F2KDM4EPOLBNR1H2NR1H3
SCHEMBL5708297 0.73 LATS1 (0.41) F2KDM4EPOLBNR1H2NR1H3
SCHEMBL3049145 0.71 NR1H3 (0.44) F2KDM4EPOLBNR1H2NR1H3
SCHEMBL3051245 0.71 TP53 (0.41) F2KDM4EPOLBALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 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-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOUYSSOU THIERRY 2008-06-05 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

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 F2 550/4885KDM4E 4711/4885POLB 2107/4885
US-20090324510-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES NDUFA1, NDUFA6, NDUFA3 F2 876/4885KDM4E 4814/4885POLB 2535/4885
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES PAH, CYP1A1, CYP11B1 F2 302/4885KDM4E 470/4885POLB 1719/4885
US-20100222336-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION ADRB1, ADRA1A, ADRB2 F2 1594/4885KDM4E 4110/4885POLB 3106/4885

“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.