SCHEMBL4683221

SCHEMBL4683221

C=CCOC1(c2ccc(Cl)c(Cl)c2)CCNC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.50
SLC6A4 P31645 15/20 0.50
SLC6A3 Q01959 14/20 0.50
CYP2D6 P10635 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50

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
SCHEMBL19237285 0.74 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL8970530 0.73 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL8559271 0.72 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL13543992 0.72 DRD2 (0.53) CYP3A4
SCHEMBL4683352 0.70 SIGMAR1 (0.47)
SCHEMBL11535461 0.70 OPRM1 (0.46)
SCHEMBL7134955 0.69 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL7134948 0.69 SLC6A4 (0.66) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2
SCHEMBL27999604 0.68 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL6957461 0.68 SLC6A4 (0.70) SLC6A2SLC6A4SLC6A3CYP2D6CYP1A2

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-1569933-B1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-23 EP disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-20060058284-A1 Pyrrolidine and azetidine compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-16 US disclosed
EP-1569933-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SmithKline Beecham Corporation (US) 2005-09-07 EP disclosed
WO-2004055016-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060058284-A1 Pyrrolidine and azetidine compounds as ccr5 antagonists CCR5, CCL5, CXCR1 SLC6A2 1823/4885SLC6A4 1492/4885SLC6A3 1108/4885

“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.