SCHEMBL3633468

SCHEMBL3633468

O=C(O)CC1(c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.68
ALDH1A1 P00352 1/20 0.58
SLC6A4 P31645 3/20 0.56
SLC6A3 Q01959 3/20 0.56
EPHX2 P34913 2/20 0.53
SLC6A2 P23975 2/20 0.51
HDAC4 P56524 1/20 0.47
CNR1 P21554 1/20 0.43
CYP2C8 P10632 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR2 P41597 1/20 0.42
P2RX7 Q99572 1/20 0.41

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
SCHEMBL624643 0.96 HSD11B1 (0.63) HSD11B1ALDH1A1SLC6A4SLC6A3EPHX2
SCHEMBL7177946 0.93 ALDH1A1 (0.61) HSD11B1ALDH1A1SLC6A4SLC6A3EPHX2
SCHEMBL5363393 0.85 ALDH1A1 (0.66) HSD11B1ALDH1A1L3MBTL1P2RX7
SCHEMBL21214447 0.85 ALDH1A1 (0.55) HSD11B1ALDH1A1SLC6A4SLC6A3EPHX2
SCHEMBL12836588 0.84 SLC6A4 (0.59) HSD11B1ALDH1A1SLC6A4SLC6A3EPHX2
SCHEMBL10694536 0.84 SLC6A4 (0.59) HSD11B1ALDH1A1SLC6A4SLC6A3EPHX2
SCHEMBL977926 0.83 HSD11B1 (0.69) HSD11B1ALDH1A1SLC6A4SLC6A3EPHX2
SCHEMBL12836593 0.83 SLC6A3 (0.62) HSD11B1ALDH1A1SLC6A4SLC6A3EPHX2
SCHEMBL16565616 0.82 ALDH1A1 (0.56) HSD11B1ALDH1A1EPHX2P2RX7
SCHEMBL4239672 0.82 HSD11B1 (0.68) HSD11B1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268140-B1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA INC (US) 2020-11-11 EP disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 US disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 US disclosed
US-9212155-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-15 US disclosed
US-9206143-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-08 US disclosed
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
CN-103641823-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC 2014-03-19 CN disclosed
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-11-01 US disclosed
US-8242139-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2012-08-14 US disclosed
EP-2452937-A1 Inhibitors of diacylglycerol o-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-05-16 EP disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 US disclosed
CN-101743234-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LAB 2010-06-16 CN disclosed
EP-2142521-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME Abbott Laboratories (US) 2010-01-13 EP disclosed
US-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-2013172-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER AstraZeneca AB (SE) 2009-01-14 EP disclosed
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US disclosed
WO-2008134693-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
WO-2007123465-A1 NEW ALKYL ESTERS OF CYCLIC AMINO ALCOHOLS WITH MUSCARINIC M3 RECEPTOR ANTAGONIST ACTIVITY, USEFUL FOR TREATING E.G. CHRONIC BRONCHIAL OBSTRUCTION, ASTHMA AND OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-11-01 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-20090233965-A1 Alkyl Esters Of Cyclic Amino Alcohols With Muscarinic M3 Receptor Antagonist Activity, Useful For Treating E.G. Chronic Bronchial Obstruction, Asthma And Overactive Bladder CHRM3, CHRM2, CHRM1 HSD11B1 1114/4885ALDH1A1 581/4885SLC6A4 3589/4885
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 HSD11B1 1313/4885ALDH1A1 1414/4885SLC6A4 149/4885
US-20080312282-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT HSD11B1 522/4885ALDH1A1 276/4885SLC6A4 3093/4885
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 HSD11B1 1180/4885ALDH1A1 1158/4885SLC6A4 288/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT HSD11B1 522/4885ALDH1A1 276/4885SLC6A4 3093/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA HSD11B1 1367/4885ALDH1A1 1386/4885SLC6A4 305/4885
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS CHRNA10, CHRNA6, GAP43 HSD11B1 1045/4885ALDH1A1 2012/4885SLC6A4 133/4885

“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.