SCHEMBL3204

SCHEMBL3204

NC(CC(Oc1cccc(C(F)(F)F)c1)c1ccoc1)OC(=O)C(=O)OC(N)CC(Oc1cccc(C(F)(F)F)c1)c1ccoc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SLC6A9 P48067 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
MAPT P10636 1/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
PNMT P11086 1/20 0.34

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
SCHEMBL5080428 0.81 SLC6A2 (0.51) PPARGPPARAKDM4ESLC6A9MAOB
Oxalic Acid SCHEMBL3203 0.80 SLC6A2 (0.49) PPARGPPARAKDM4ESLC6A9NPSR1
SCHEMBL7306077 0.75 SLC6A4 (0.59) KDM4ESLC6A9
SCHEMBL7317062 0.72 SLC6A4 (0.54) PPARGPPARAKDM4E
Oxalic Acid SCHEMBL8718096 0.72 PPARG (0.46) PPARGPPARAKDM4ESLC6A9NPSR1
SCHEMBL7319558 0.69 SLC6A4 (0.53) MAPT
SCHEMBL7310188 0.69 LMNA (0.47) AOC3
SCHEMBL10552201 0.66 PPARG (0.49) PPARGPPARAKDM4ESLC6A9NPSR1
SCHEMBL13374090 0.66 PPARG (0.51) PPARGPPARAKDM4ESLC6A9SLC22A12
SCHEMBL19668678 0.66 SLC6A2 (0.56) PPARGPPARASLC6A9PNMT

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-9931346-B2 Serotonin-norepinephrine reuptake inhibitors (SNRIs) and Sigma receptor ligands combinations LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-04-03 US disclosed
US-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2016-10-27 US disclosed
EP-3082782-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-10-26 EP disclosed
WO-2015091508-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIs) AND SIGMA RECEPTOR LIGANDS COMBINATIONS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-06-25 WO disclosed
US-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2005079284-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2005-09-01 WO disclosed
EP-0654264-B1 Use of venlafaxine or of an aryloxy propanamine compound for the manufacture of a medicament for the treatment of urinary incontinence LILLY CO ELI (US) 2001-05-30 EP disclosed
US-5744474-A ADMINISTERING VENLAFAXINE OR DULOXETINE; TREATING STRESS, URGE AND/OR NOCTURNAL URINARY INCONTINENCE ELI LILLY AND COMPANY (US) 1998-04-28 US disclosed
EP-0654264-A1 Treatment of incontinence with venlafaxine or an aryloxy propanamine compound ELI LILLY AND COMPANY (US) 1995-05-24 EP disclosed
US-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed
EP-0273658-A1 3-Aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1988-07-06 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 (4 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-20160310500-A1 SEROTONIN-NOREPINEPHRINE REUPTAKE INHIBITORS (SNRIS) AND SIGMA RECEPTOR LIGANDS COMBINATIONS SIGMAR1, OPRL1, SLC6A2 PPARG 2648/4885PPARA 1987/4885KDM4E 4133/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 PPARG 529/4885PPARA 411/4885KDM4E 1372/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 PPARG 655/4885PPARA 231/4885KDM4E 1739/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 PPARG 529/4885PPARA 411/4885KDM4E 1372/4885

“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.