SCHEMBL4942310

SCHEMBL4942310

COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H]1CN(C(=O)O)CCO1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 19/20 0.62
SLC6A4 P31645 19/20 0.62
SLC6A3 Q01959 11/20 0.62
HRH1 P35367 2/20 0.62
KCNH2 Q12809 1/20 0.62
CYP2D6 P10635 1/20 0.49
DRD4 P21917 1/20 0.42

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
SCHEMBL4935539 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL4943572 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL6355976 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL4935548 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL4942318 1.00 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3325386 0.89 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3327580 0.89 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3325001 0.89 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL3330275 0.89 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL13299460 0.89 SLC6A2 (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 WO disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 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 (2 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

“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.