SCHEMBL2122121

SCHEMBL2122121

CCNCCN(CC)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PAOX Q6QHF9 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 3/20 0.35
GLA P06280 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33
CDK1 P06493 1/20 0.32
CYP2D6 P10635 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL17022731 0.91 CYP1A2 (0.45) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL5180611 0.91 CYP2C19 (0.38) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL4090083 0.89 CYP2C19 (0.39) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL3972281 0.88 CYP2C19 (0.43) CYP1A2CYP2C9PAOXMEN1KMT2A
SCHEMBL10245131 0.87 PAOX (0.41) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL19432370 0.86 CYP2C9 (0.45) CYP1A2CYP2C9HPGDMAPK1HIF1A
SCHEMBL9079152 0.85 CYP2C19 (0.41) CYP1A2CYP2C9PAOXMEN1KMT2A
SCHEMBL4192702 0.83 CYP2C19 (0.39) CYP1A2MAPK1PAOXMEN1KMT2A
Diethylaminoethanol SCHEMBL18769935 0.83 CYP1A2 (0.45) CYP1A2CYP2C9HPGDMAPK1HIF1A
Diethylaminoethanol SCHEMBL28133290 0.83 CYP1A2 (0.45) CYP1A2CYP2C9HPGDMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933223-B2 Process for preparing a cyclic tertiary amine BASF SE (DE) 2015-01-13 US disclosed
EP-2627644-B1 METHOD FOR PRODUCING A CYCLIC TERTIARY AMINE BASF SE (DE) 2014-12-10 EP disclosed
CN-103492404-A C-4' substituted macrolide derivatives TAISHO PHARMACEUTICAL CO LTD 2014-01-01 CN disclosed
EP-2627644-A1 METHOD FOR PRODUCING A CYCLIC TERTIARY AMINE BASF SE (DE) 2013-08-21 EP disclosed
CN-102908624-A Pharmaceutical product comprising a muscarinic receptor antagonist and a beta2-adrenoceptor agonist ASTRAZENECA SWEDEN AB 2013-02-06 CN disclosed
CN-102088976-B Comprising a muscarinic receptor antagonist and beta2-pharmaceutical products of adrenoreceptor agonists ASTRAZENECA AB 2012-12-26 CN disclosed
CN-101678005-B Combination of a muscarinic receptor antagonist and a beta-2 adrenergic receptor agonist ARGENTA DISCOVERY LTD 2012-10-31 CN disclosed
CN-101282950-B Novel benzothiazolone derivatives ASTRAZENECA AB 2012-09-12 CN disclosed
US-20120095221-A1 PROCESS FOR PREPARING A CYCLIC TERTIARY AMINE BASF SE (DE) 2012-04-19 US disclosed
WO-2012049101-A1 METHOD FOR PRODUCING A CYCLIC TERTIARY AMINE BASF SE (DE) 2012-04-19 WO disclosed
CN-102088976-A Comprising a muscarinic receptor antagonist and beta2-pharmaceutical products of adrenoreceptor agonists ASTRAZENECA AB 2011-06-08 CN disclosed
CN-101748117-A Sample dissociation and coating of reaction surface QIAGEN GMBH 2010-06-23 CN disclosed
CN-101678005-A Combination of a muscarinic receptor antagonist and a beta-2 adrenergic receptor agonist ARGENTA DISCOVERY LTD 2010-03-24 CN disclosed
CN-101652137-A Combinations of beta- 2 -adrenoceptor agonistic benzothiazolone ASTRAZENECA AB SE 2010-02-17 CN disclosed
CN-101605770-A Salt 668 ASTRAZENECA AB (SE) 2009-12-16 CN disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
CN-101300240-A 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3h)-one-derivatives as beta 2 adrenoceptor agonists ASTRAZENECA AB (SE) 2008-11-05 CN disclosed
CN-101282950-A Novel benzothiazolone derivatives ASTRAZENECA AB (SE) 2008-10-08 CN disclosed
CN-101133093-A Sample lysis and coating of reaction surfaces QIAGEN GMBH (DE) 2008-02-27 CN disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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 (2 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-20120095221-A1 PROCESS FOR PREPARING A CYCLIC TERTIARY AMINE ADH1A, ADH1C, AOC2 CYP1A2 17/4885CYP2C9 410/4885HPGD 589/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CYP1A2 1928/4885CYP2C9 395/4885HPGD 556/4885

“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.