SCHEMBL3530

SCHEMBL3530

CN(C)C(CC(Oc1ccccc1)c1ccco1)OC(=O)C(=O)OC(CC(Oc1ccccc1)c1ccco1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 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
SCHEMBL3802 0.86 OPRM1 (0.48) KDM4EOPRM1OPRD1RAB9ASMN1; SMN2
SCHEMBL3924 0.81 SLC6A4 (0.56) ALDH1A1KDM4EHPGDOPRM1OPRD1
Oxalic Acid SCHEMBL3529 0.75 SLC6A4 (0.46) POLBALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL9500936 0.73 SLC6A9 (0.57)
SCHEMBL7318201 0.73 SLC6A9 (0.60) ALDH1A1KDM4EHPGDOPRM1RAB9A
SCHEMBL5083167 0.72 SLC6A4 (0.50)
SCHEMBL11350917 0.72 ALDH1A1 (0.45) ALDH1A1OPRM1OPRD1SMN1; SMN2KMT2A
SCHEMBL21663446 0.71 MIF (0.47) POLBL3MBTL1SMN1; SMN2GAAPKM
SCHEMBL10102 0.68 ALDH1A1 (0.41) POLBALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL3486 0.68 TRPM8 (0.42) POLBALDH1A1KDM4EHPGDRAB9A

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-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-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 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 POLB 2225/4885ALDH1A1 490/4885KDM4E 4133/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 POLB 4443/4885ALDH1A1 590/4885KDM4E 1372/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 POLB 3414/4885ALDH1A1 1623/4885KDM4E 1739/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 POLB 4443/4885ALDH1A1 590/4885KDM4E 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.