SCHEMBL5310035

SCHEMBL5310035

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.49
SLC6A2 P23975 6/20 0.49
ALOX15 P16050 1/20 0.49
ADRB3 P13945 5/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
FBP1 P09467 1/20 0.38

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
SCHEMBL5307879 0.88 SLC6A2 (0.51) SLC6A4SLC6A2ADRB3CYP1A2CYP2C19
SCHEMBL5312156 0.87 ALOX15 (0.52) SLC6A4SLC6A2ALOX15CYP1A2CYP2C19
SCHEMBL5309985 0.86 ALOX15 (0.57) SLC6A4SLC6A2ALOX15CYP1A2CYP2C19
SCHEMBL5307179 0.86 SLC6A2 (0.54) SLC6A4SLC6A2ALOX15CYP3A4CYP2D6
SCHEMBL5307398 0.85 ALOX15 (0.42) SLC6A4SLC6A2ALOX15ADRB3CYP1A2
SCHEMBL11393982 0.82 SLC6A4 (0.57) SLC6A4SLC6A2ADRB3ADRB2ADRB1
SCHEMBL5304260 0.81 ALOX15 (0.53) SLC6A4SLC6A2ALOX15CYP1A2CYP2C19
SCHEMBL11393725 0.81 ALOX15 (0.53) SLC6A4SLC6A2ALOX15CYP1A2CYP2C19
SCHEMBL11391191 0.78 ALOX15 (0.56) SLC6A4SLC6A2ALOX15CYP1A2CYP2C19
SCHEMBL5304353 0.77 ALOX15 (0.49) SLC6A4SLC6A2ALOX15CYP1A2CYP2C19

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 14 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-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
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS 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-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 SLC6A4 4/4885SLC6A2 1/4885ALOX15 2825/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A4 2071/4885SLC6A2 1538/4885ALOX15 217/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 SLC6A4 3009/4885SLC6A2 2691/4885ALOX15 132/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A4 2071/4885SLC6A2 1538/4885ALOX15 217/4885

“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.