SCHEMBL2987345

SCHEMBL2987345

CCOCc1c(CCO)cccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.34
CD274 Q9NZQ7 4/20 0.33
PTGER1 P34995 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGER2 P43116 2/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
S1PR1 P21453 1/20 0.33
PTGER4 P35408 1/20 0.33
NOTUM Q6P988 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTPN5 P54829 3/20 0.32
ALOX5 P09917 1/20 0.31
KMO O15229 1/20 0.31
PRKCZ Q05513 1/20 0.31
PDCD1 Q15116 1/20 0.31
HSD11B1 P28845 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
SCHEMBL9714863 0.78 AHR (0.42) AHRPTGER1PTGER3PTGER2SLC6A2
SCHEMBL6427994 0.73 PTGER1 (0.41) AHRPTGER1PTGER3PTGER2PTGER4
SCHEMBL9086179 0.72 BDKRB1 (0.45) PTGER1PTGER3PTGER2NOTUMSLC6A2
SCHEMBL1154775 0.72 AHR (0.44) AHRCD274PTGER1PTGER3PTGER2
SCHEMBL2345310 0.70 CD274 (0.43) CD274PDCD1
SCHEMBL9444928 0.68 AHR (0.43) AHRPTGER1PTGER3PTGER2PTGER4
SCHEMBL11136480 0.68 AHR (0.46) AHRPTGER1PTGER3PTGER2PTGER4
SCHEMBL7559810 0.68 ALDH1A1 (0.40) CD274NOTUMSLC6A4SLC6A3PDCD1
SCHEMBL9288019 0.67 TRPA1 (0.49) AHRPTGER1PTGER3PTGER2SLC6A2
SCHEMBL9444900 0.66 CYP4F2 (0.55) PTGER1PTGER3PTGER2PTGER4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100178342-A1 Solid Pharmaceutical Preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 US claimed
US-20050203124-A1 Compounds for the sustained reduction of body weight BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US claimed
US-20050182089-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an N-methyl-D-aspartate (NMDA) receptors antagonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-20050182090-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and a dopamine agonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US claimed
US-20050154009-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an acetylcholinesterase inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US claimed
US-20100210626-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN ACETYLCHOLINESTERASE INHIBITOR FRIEDL THOMAS 2010-08-19 US disclosed
US-20100178342-A1 Solid Pharmaceutical Preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-15 US disclosed
US-20080200498-A1 Pharmaceutical Composition For The Treatment Of Disorders Of Sexual Desire CECI ANGELO 2008-08-21 US disclosed
WO-2007028770-A1 MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS FOR NEUROPROTECTION IN PATIENTS SUFFERING FROM AN ADVANCED STAGE OF A MENTAL DISEASE NEUROSEARCH A/S (DK) 2007-03-15 WO disclosed
WO-2007028769-A1 MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR FOR NEUROPROTECTION NEUROSEARCH A/S (DK) 2007-03-15 WO disclosed
US-20050277664-A1 Monoamine neurotransmitter re-uptake inhibitor for the inhibition of beta-amyloid generation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
US-20050203124-A1 Compounds for the sustained reduction of body weight BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US disclosed
US-20050182089-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an N-methyl-D-aspartate (NMDA) receptors antagonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US disclosed
US-20050182090-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and a dopamine agonist BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-18 US disclosed
US-20050154009-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an acetylcholinesterase inhibitor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 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 (8 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-20050154009-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an acetylcholinesterase inhibitor SLC18A3, ACHE, SLC6A2 AHR 1468/4885CD274 2924/4885PTGER1 3308/4885
US-20080200498-A1 Pharmaceutical Composition For The Treatment Of Disorders Of Sexual Desire SLC18A2, SLC6A3, SLC6A2 AHR 2440/4885CD274 3653/4885PTGER1 1954/4885
US-20050182089-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and an N-methyl-D-aspartate (NMDA) receptors antagonist SLC18A2, SLC6A2, SLC6A3 AHR 794/4885CD274 1158/4885PTGER1 2247/4885
US-20050277664-A1 Monoamine neurotransmitter re-uptake inhibitor for the inhibition of beta-amyloid generation SLC6A2, SLC18A2, SLC18A3 AHR 1191/4885CD274 3064/4885PTGER1 4209/4885
US-20100178342-A1 Solid Pharmaceutical Preparation SLC6A2, SLC18A2, SLC6A3 AHR 720/4885CD274 3665/4885PTGER1 1823/4885
US-20050203124-A1 Compounds for the sustained reduction of body weight SLC6A2, SLC6A3, SLC6A4 AHR 943/4885CD274 3492/4885PTGER1 4490/4885
US-20100210626-A1 PHARMACEUTICAL COMPOSITION COMPRISING A MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITOR AND AN ACETYLCHOLINESTERASE INHIBITOR SLC18A3, SLC6A2, SLC18A2 AHR 1377/4885CD274 3011/4885PTGER1 3249/4885
US-20050182090-A1 Pharmaceutical composition comprising a monoamine neurotransmitter re-uptake inhibitor and a dopamine agonist SLC6A2, SLC6A3, SLC18A2 AHR 671/4885CD274 1352/4885PTGER1 2516/4885

“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.