SCHEMBL3329451

SCHEMBL3329451

COc1cc(F)ccc1OC(c1ccccc1)C1CNCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 1.00
SLC6A4 P31645 20/20 1.00
SLC6A3 Q01959 15/20 1.00
HRH1 P35367 4/20 1.00
KCNH2 Q12809 2/20 0.77
MLNR O43193 1/20 0.66
ADRB2 P07550 1/20 0.66
CHRM2 P08172 1/20 0.66
CHRM1 P11229 1/20 0.66
CHRM3 P20309 1/20 0.66
HTR2C P28335 1/20 0.66
OPRK1 P41145 1/20 0.66
KDM4E B2RXH2 1/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
MAPK1 P28482 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL3182179 0.96 SLC6A2 (0.92) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3199883 0.96 SLC6A2 (0.92) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3327900 0.93 SLC6A2 (0.88) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3333592 0.93 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3333367 0.93 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3333370 0.93 SLC6A2 (0.86) SLC6A2SLC6A4SLC6A3HRH1KCNH2
Hydrochloric Acid SCHEMBL3327420 0.92 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3HRH1KCNH2
Hydrochloric Acid SCHEMBL3327424 0.92 SLC6A2 (0.84) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL5307937 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL30510969 0.90 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 EP claimed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 WO 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-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-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-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.