SCHEMBL3963985

SCHEMBL3963985

CCON=C(c1ccc(Br)cc1)C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 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
SCHEMBL3963983 1.00 CCR5 (0.50) CCR5
SCHEMBL13886981 0.87 MEN1 (0.50) CCR5
SCHEMBL5760000 0.83 CCR5 (0.68) CCR5
SCHEMBL5760398 0.83 CCR5 (0.68) CCR5
SCHEMBL13894807 0.79 MEN1 (0.41) CCR5
SCHEMBL16202069 0.72 CCR5 (0.41) CCR5
SCHEMBL24130848 0.70 SLC6A2 (0.40) CCR5
Hydrochloric Acid SCHEMBL1448673 0.69 LTA4H (0.52) CCR5
SCHEMBL1135130 0.67 MEN1 (0.67)
Bromide SCHEMBL10966041 0.66 MEN1 (0.65) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2009173688-A SYNTHESIS OF (4-BROMOPHENYL)(4-PIPERIDYL)METHANONE-(Z)-O-ETHYLOXIME AND SALTS SCHERING CORP 2009-08-06 JP disclosed
US-7524963-B2 Synthesis of (4-bromophenyl)(4-piperidyl)methanone-(Z)-O-ethyloxime and salts SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7524963-B2 Synthesis of (4-bromophenyl)(4-piperidyl)methanone-(Z)-O-ethyloxime and salts SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20050171159-A1 Antiinflammatory agents; rheumatic diseases WONG GEORGE S (US) 2005-08-04 US disclosed
US-6914142-B2 Synthesis of (4-bromopnenyl)(4-piperidyl)methanone-(Z)-O-ethyloxime and salts SCHERING CORPORATION (US) 2005-07-05 US disclosed
US-20030092731-A1 Synthesis of (4-bromopnenyl)(4-piperidyl)methanone-(Z)-O-ethyloxime and salts SCHERING CORPORATION 2003-05-15 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-20030092731-A1 Synthesis of (4-bromopnenyl)(4-piperidyl)methanone-(Z)-O-ethyloxime and salts PAM, PNMT, MSMO1 CCR5 868/4885
US-20050171159-A1 Antiinflammatory agents; rheumatic diseases PTGES3, PTGES, PTGES2 CCR5 136/4885

“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.