SCHEMBL5307398

SCHEMBL5307398

CCOc1ccccc1OC(c1cccc(Cl)c1)C(CNC)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ADRB3 P13945 1/20 0.41
SLC6A4 P31645 6/20 0.38
SLC6A2 P23975 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.36
AOC3 Q16853 1/20 0.36
SLC6A3 Q01959 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
NOS2 P35228 1/20 0.35
FBP1 P09467 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL5311201 0.90 SLC6A2 (0.43) ADRB3SLC6A4SLC6A2CYP1A2CYP2C19
SCHEMBL5304103 0.87 ALOX15 (0.45) ALOX15SLC6A4SLC6A2SMN1; SMN2MAPT
SCHEMBL5309840 0.87 ALOX15 (0.49) ALOX15SLC6A4SLC6A2CYP1A2CYP2C19
SCHEMBL5307920 0.86 SLC6A2 (0.50) ALOX15SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL5310035 0.85 SLC6A4 (0.49) ALOX15ADRB3SLC6A4SLC6A2SMN1; SMN2
SCHEMBL11400919 0.82 SLC6A4 (0.50) ADRB3SLC6A4SLC6A2AOC3SLC6A3
SCHEMBL5311274 0.81 ALOX15 (0.46) ALOX15SLC6A4SLC6A2SMN1; SMN2MAPT
SCHEMBL11399632 0.81 ALOX15 (0.46) ALOX15SLC6A4SLC6A2SMN1; SMN2MAPT
SCHEMBL11400534 0.79 ALOX15 (0.49) ALOX15SLC6A4SLC6A2MAPTCYP1A2
SCHEMBL5312748 0.77 ALOX15 (0.42) ALOX15SLC6A4SLC6A2SMN1; SMN2CYP1A2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF 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
EP-1675582-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS Warner-Lambert Company LLC (US) 2006-07-05 EP 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
WO-2005025563-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
US-20050059654-A1 Method for treatment of depression and anxiety disorders by combination therapy ARNERIC STEPHEN P (US) 2005-03-17 US disclosed
US-4271160-A Substituted morpholine derivatives and pharmaceutical compositions FARMITALIA CARLO ERBA S.P.A. (IT) 1981-06-02 US disclosed
US-4229449-A ANTIDEPRESSANTS FARMITALIA CARLO ERBA, S.P.A. (IT) 1980-10-21 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 (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-20050059654-A1 Method for treatment of depression and anxiety disorders by combination therapy SLC6A2, SLC18A2, ADRA2C ALOX15 2825/4885ADRB3 63/4885SLC6A4 4/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 ALOX15 217/4885ADRB3 830/4885SLC6A4 2071/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 ALOX15 132/4885ADRB3 1861/4885SLC6A4 3009/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 ALOX15 217/4885ADRB3 830/4885SLC6A4 2071/4885

“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.