SCHEMBL734008

SCHEMBL734008

COc1cccc(CCCC=O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ABCB1 P08183 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 3/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ALOX5 P09917 1/20 0.43
PTGS2 P35354 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL7333236 0.90 CA12 (0.54) CA12CA1CA2CA14ABCB1
SCHEMBL9694624 0.85 CHRM2 (0.55) CA12CA1CA2CA14
SCHEMBL5205282 0.80 CA12 (0.49) CA12CA1CA2CA14ABCB1
SCHEMBL13570066 0.80 ALOX5 (0.60) CA12CA1CA2CA14ABCB1
SCHEMBL13801208 0.79 CA12 (0.61) CA12CA1CA2CA14ABCB1
SCHEMBL26052291 0.78 ALOX5 (0.44) CA12CA1CA2CA14HTR2A
SCHEMBL1259539 0.78 ALOX5 (0.68) CA12CA1CA2CA14ABCB1
SCHEMBL15610427 0.78 CA12 (0.55) CA12CA1CA2CA14ABCB1
SCHEMBL985240 0.78 ALDH1A1 (0.51) CA12CA1CA2CA14ABCB1
SCHEMBL11232865 0.78 CA12 (0.51) CA12CA1CA2CA14ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2020-02-27 US disclosed
US-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-09-13 US disclosed
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity ACADIA PHARMACEUTICALS INC. 2018-03-29 US disclosed
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-12-15 US disclosed
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2016-11-03 US disclosed
US-9458082-B2 Substituted phenethylamines with serotoninergic and/or norepinephrinergic activity AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-04 US disclosed
US-9422225-B2 Substituted phenethylamines with serotoninergic and/or norepinephrinergic activity AUSPEX PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
EP-2998288-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals, Inc. (US) 2016-03-23 EP disclosed
EP-1954669-B1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS INC (US) 2015-07-08 EP disclosed
US-20140296339-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY ACADIA PHARMACEUTICALS INC. 2014-10-02 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
US-6150532-A OXAZOLE COMPOUNDS WITH UNSATURATED ACID OR ESTER GROUPS AS ENZYME INHIBITORS MJALLI ADNAN (US) 2000-11-21 US disclosed
US-5965558-A 2 OR 2,3-DI((2-CARBOXYETHYLENEARYL)QUINOXALINES; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; UNITS INCLUDING PROTEIN TYROSINE PHOSPHATASES AND PROTEINS WITH SRC-HOMOLOGY-2 DOMAINS; ANTIDIABETICS,-ALLERGENS,-COAGULANTS ONTOGEN CORPORATION (US) 1999-10-12 US disclosed
EP-0946518-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1999-10-06 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1998027065-A1 MODULATORS OF PROTEINS WITH PHOSPHOTYROSINE RECOGNITION UNITS ONTOGEN CORPORATION (US) 1998-06-25 WO disclosed
US-5753687-A ACRYLATED ARYLIMIDAZOLE DERIVATIVES ONTOGEN CORPORATION (US) 1998-05-19 US disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 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 (6 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-20180256517-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 CA12 4436/4885CA1 3130/4885CA2 3062/4885
US-20200060995-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 CA12 4436/4885CA1 3130/4885CA2 3062/4885
US-20160361275-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 CA12 4436/4885CA1 3130/4885CA2 3062/4885
US-20160318847-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 CA12 4436/4885CA1 3130/4885CA2 3062/4885
US-20140296339-A1 SUBSTITUTED PHENETHYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 CA12 4436/4885CA1 3130/4885CA2 3062/4885
US-20180085327-A1 Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity SLC6A4, HTR4, GPR34 CA12 4436/4885CA1 3130/4885CA2 3062/4885

“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.