SCHEMBL3758

SCHEMBL3758

CNC(CC(Oc1cccc2ccccc12)c1ccoc1)OC(=O)C(O)C(O)C(=O)OC(CC(Oc1cccc2ccccc12)c1ccoc1)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.41
SLC6A2 P23975 15/20 0.41
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PGR P06401 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A3 Q01959 2/20 0.36
MLNR O43193 1/20 0.36
CACNA1F O60840 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
DRD2 P14416 1/20 0.36
KCNE1 P15382 1/20 0.36
ADRA2B P18089 1/20 0.36

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
Cadaverine Tartrate SCHEMBL3757 0.77 SLC6A4 (0.64) SLC6A4SLC6A2GAASLC6A3MLNR
SCHEMBL9747 0.75 SLC6A4 (0.61) SLC6A4SLC6A2GAAALDH1A1PGR
SCHEMBL3449 0.75 SLC6A2 (0.62) SLC6A4SLC6A2GAASLC6A3MLNR
SCHEMBL3771 0.74 SLC6A4 (0.45) SLC6A4SLC6A2MAPK1
SCHEMBL4106328 0.72 SLC6A2 (0.54) SLC6A4SLC6A2GAASLC6A3MLNR
SCHEMBL2014600 0.71 SLC6A2 (0.61) SLC6A4SLC6A2GAASLC6A3MLNR
SCHEMBL3336 0.71 SLC6A2 (0.61) SLC6A4SLC6A2GAASLC6A3MLNR
SCHEMBL5079373 0.70 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL3732 0.69 SLC6A4 (0.63) SLC6A4SLC6A2GAASLC6A3MLNR
SCHEMBL3217651 0.69 CTNNB1 (0.49) ALDH1A1

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 20 patents. 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-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
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 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-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
CN-1099284-C Treatment of incontinence LILLY CO ELI (US) 2003-01-22 CN 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 SLC6A4 6/4885SLC6A2 3/4885GAA 1698/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A4 2071/4885SLC6A2 1538/4885GAA 3014/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 SLC6A4 3009/4885SLC6A2 2691/4885GAA 858/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A4 2071/4885SLC6A2 1538/4885GAA 3014/4885

“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.