SCHEMBL3197040

SCHEMBL3197040

c1ccc(OC(c2ccccc2)C2CNCCO2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.70
SLC6A4 P31645 15/20 0.70
SLC6A3 Q01959 13/20 0.70
HRH1 P35367 4/20 0.65
MLNR O43193 1/20 0.65
ADRB2 P07550 1/20 0.65
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
CHRM3 P20309 1/20 0.65
HTR2C P28335 1/20 0.65
OPRK1 P41145 1/20 0.65
KCNH2 Q12809 1/20 0.65
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65

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
SCHEMBL3177611 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL3177626 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL3177621 1.00 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HRH1MLNR
Hydrochloric Acid SCHEMBL11394883 0.99 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL11401930 0.91 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3186435 0.91 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL3186427 0.91 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL5304265 0.91 SLC6A2 (0.73) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL3186431 0.91 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HRH1MLNR
SCHEMBL3183852 0.91 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3HRH1MLNR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745029-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-01-24 EP claimed
WO-2005105763-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO claimed
US-20050245519-A1 Substituted morpholine compounds for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-11-03 US claimed
US-7659394-B2 Substituted morpholine compounds for the treatment of central nervous system disorders PFIZER INC (US) 2010-02-09 US 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-2007005935-A2 NOREPINEPHRINE TRANSPORTER RADIOTRACERS AND METHODS OF SYNTHESES THEREOF MOLECULAR NEUROIMAGING, LLC (US) 2007-01-11 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-2005105763-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
US-20050245519-A1 Substituted morpholine compounds for the treatment of central nervous system disorders WARNER-LAMBERT COMPANY LLC 2005-11-03 US 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 (5 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 SLC6A2 1/4885SLC6A4 4/4885SLC6A3 25/4885
US-20050245519-A1 Substituted morpholine compounds for the treatment of central nervous system disorders CNR1, OPRM1, HCRTR1 SLC6A2 124/4885SLC6A4 235/4885SLC6A3 93/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A2 1538/4885SLC6A4 2071/4885SLC6A3 2196/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 SLC6A2 2691/4885SLC6A4 3009/4885SLC6A3 2057/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 SLC6A2 1538/4885SLC6A4 2071/4885SLC6A3 2196/4885

“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.