SCHEMBL10021113

SCHEMBL10021113

Cc1ccc(C(O)CC2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
IDO1 P14902 6/20 0.45
TDO2 P48775 6/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL13232182 0.86 EPHX1 (0.49) METAP2METAP1IDO1TDO2CYP1A2
SCHEMBL10021099 0.83 KMT2A (0.43) METAP2METAP1MEN1KMT2ANPC1
SCHEMBL18660426 0.82 NFE2L2 (0.44) IDO1TDO2CYP1A2CYP2D6HIF1A
SCHEMBL13275902 0.82 IDO1 (0.45) KMT2AIDO1TDO2CYP1A2CYP2D6
SCHEMBL10633563 0.82 SLC6A2 (0.54) METAP2IDO1TDO2NPC1RAB9A
SCHEMBL1520497 0.81 CYP1A2 (0.57) METAP2METAP1IDO1TDO2CYP1A2
SCHEMBL7496186 0.79 CYP1A2 (0.59) CYP1A2CYP2D6HIF1A
SCHEMBL1963900 0.79 CYP1A2 (0.41) IDO1TDO2CYP1A2CYP2D6HIF1A
SCHEMBL2194901 0.79 IDO1 (0.46) IDO1TDO2
SCHEMBL22868100 0.79 METAP2 (0.47) METAP2METAP1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 US disclosed
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US disclosed
US-20150274658-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. (US) 2015-10-01 US disclosed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 US disclosed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 US disclosed
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 US disclosed
US-8278347-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-10-02 US disclosed
US-8263593-B2 Therapeutic compounds ALLERGAN, INC. (US) 2012-09-11 US disclosed
US-7482475-B2 Therapeutic lactams ALLERGAN, INC. (US) 2009-01-27 US disclosed
US-20090016981-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. (US) 2009-01-15 US disclosed
US-7439372-B2 Therapeutic compounds ALLERGAN, INC. (US) 2008-10-21 US disclosed
WO-2008100809-A1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2008-08-21 WO disclosed
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts ALLERGAN, INC. 2008-03-06 US disclosed
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts OLD DAVID W 2008-03-06 US disclosed
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES ALLERGAN, INC. 2008-02-21 US disclosed
US-20080039505-A1 THERAPEUTIC LACTAMS ALLERGAN, INC. 2008-02-14 US disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 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 (10 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-20150274658-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD METAP2 2001/4885METAP1 1498/4885MEN1 2538/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 METAP2 1932/4885METAP1 2699/4885MEN1 3829/4885
US-20080039505-A1 THERAPEUTIC LACTAMS CLPP, NOTUM, PEPD METAP2 2001/4885METAP1 1498/4885MEN1 2538/4885
US-20090016981-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 METAP2 1561/4885METAP1 2339/4885MEN1 3123/4885
US-20080045576-A1 THERAPEUTIC N-ARYL OR N-HETEROARYL PYRAZOLIDINE AND PYRAZOLIDINONE DERIVATIVES GOT2, GOT1, NME4 METAP2 2630/4885METAP1 2587/4885MEN1 3331/4885
US-20080058397-A1 5-(3-(3-(4-hexanoylphenyl)-2,5-dioxoimidazolidin-4-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agent; post-sergical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 METAP2 740/4885METAP1 1243/4885MEN1 3994/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 METAP2 1561/4885METAP1 2339/4885MEN1 3123/4885
US-20080058387-A1 5-(3-(3-(4-(1-hydroxyhexyl)phenyl)-4-oxo-thiazolidin-2-yl)propyl)thiophene-2-carboxylic acid; prostaglandin agonist; ocular hypotensive agents; post-surgical and post-laser trabeculectomy ocular hypertensive episodes, glaucoma, and as presurgical adjuncts PTGIS, PTGIR, PTGS1 METAP2 1828/4885METAP1 2311/4885MEN1 4299/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 METAP2 480/4885METAP1 770/4885MEN1 1873/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 METAP2 1932/4885METAP1 2699/4885MEN1 3829/4885

“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.