SCHEMBL3194896

SCHEMBL3194896

Fc1cccc([C@H](Oc2cccc(F)c2F)[C@@H]2CNCCO2)c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.81
SLC6A4 P31645 13/20 0.81
SLC6A3 Q01959 11/20 0.81
HRH1 P35367 4/20 0.81

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
SCHEMBL3197060 1.00 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL3195972 1.00 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL3194911 1.00 SLC6A2 (0.81) SLC6A2SLC6A4SLC6A3HRH1
Hydrochloric Acid SCHEMBL3333500 0.99 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3HRH1
Hydrochloric Acid SCHEMBL3333498 0.99 SLC6A2 (0.80) SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL3325389 0.91 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3HRH1
Hydrochloric Acid SCHEMBL3329541 0.90 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HRH1
Hydrochloric Acid SCHEMBL3329544 0.90 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL3328348 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL3333406 0.90 SLC6A2 (0.87) SLC6A2SLC6A4SLC6A3HRH1

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 15 patents. 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
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 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-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 US claimed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 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-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof FISH PAUL VINCENT 2010-06-03 US disclosed
US-7659394-B2 Substituted morpholine compounds for the treatment of central nervous system disorders PFIZER INC (US) 2010-02-09 US disclosed
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 US disclosed
EP-1745029-A1 SUBSTITUTED MORPHOLINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2007-01-24 EP disclosed
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 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-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 US disclosed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 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

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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 SLC6A2 133/4885SLC6A4 114/4885SLC6A3 104/4885
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-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 SLC6A2 201/4885SLC6A4 350/4885SLC6A3 729/4885
US-20100137316-A1 Morpholine Compounds, Pharmaceutically Acceptable Salts Thereof, Pharmaceutical Compositions, and Methods Of Use Thereof OPRL1, UGT1A1, HTR3B SLC6A2 109/4885SLC6A4 113/4885SLC6A3 98/4885

“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.