SCHEMBL5699833

SCHEMBL5699833

Cc1ccc(COc2ccc(Br)cc2C=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ NPC1 O15118 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ RECQL P46063 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ CCR5 P51681 11/20 0.62
▸ HPGD P15428 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ PTGDR2 Q9Y5Y4 1/20 0.55
▸ MAOB P27338 2/20 0.50
▸ HTR7 P34969 1/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ USP2 O75604 1/20 0.47

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
SCHEMBL29227167 0.91 LMNA (0.58) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL5628127 0.86 CCR5 (0.63) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL29859226 0.86 CCR5 (0.63) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL29689869 0.85 CCR5 (0.63) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL5700125 0.85 PTGDR2 (0.55) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL30866193 0.85 CCR5 (0.62) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL275887 0.85 CCR5 (0.62) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL5699666 0.85 CCR5 (0.63) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL29690396 0.85 PTGDR2 (0.61) LMNAALDH1A1MAPTNPC1CYP1A2
SCHEMBL82269 0.85 PTGDR2 (0.61) LMNAALDH1A1MAPTNPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687268-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-09 — — EP disclosed
WO-2005047249-A1 BENZYLETHER AMINE COMPOUNDS USEFUL AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-26 — — WO disclosed
US-20050101644-A1 Benzylether amine compounds useful as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-05-12 — — 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 (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-20050101644-A1 Benzylether amine compounds useful as CCR-5 antagonists CCR1, CCR3, CCR4 LMNA 3981/4885ALDH1A1 1080/4885MAPT 3064/4885

“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.

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