SCHEMBL2639282

SCHEMBL2639282

NCC(c1ccc(Br)cc1)C1(O)CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.48
SLC6A4 P31645 7/20 0.48
SLC6A3 Q01959 5/20 0.48
OPRM1 P35372 1/20 0.48
LMNA P02545 1/20 0.44
CNR1 P21554 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL1699450 0.85 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL12165436 0.85 SLC6A2 (0.65) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL13352355 0.83 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL10613798 0.83 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3OPRM1
Hydrochloric Acid SCHEMBL3925422 0.83 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL4560773 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL12165437 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL12165442 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL12281621 0.81 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL17215122 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3OPRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080177110-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-07-24 US claimed
EP-1917237-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd (IL) 2008-05-07 EP claimed
WO-2008013994-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 WO claimed
US-20080177110-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-07-24 US disclosed
US-20080177110-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-07-24 US disclosed
US-20080177110-A1 Processes for the synthesis of O-desmethylvenlafaxine TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-07-24 US disclosed
EP-1917237-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE Teva Pharmaceutical Industries Ltd (IL) 2008-05-07 EP disclosed
JP-2008088159-A PROCESS FOR SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD 2008-04-17 JP disclosed
WO-2008013994-A2 PROCESSES FOR THE SYNTHESIS OF O-DESMETHYLVENLAFAXINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-01-31 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 (1 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-20080177110-A1 Processes for the synthesis of O-desmethylvenlafaxine CYP4F3, CYP3A4, CYP2D6 SLC6A2 53/4885SLC6A4 37/4885SLC6A3 80/4885

“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.