SCHEMBL3529225

SCHEMBL3529225

Cc1nc2ccccc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)C(C)(C)O)CC1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.89
KCNH2 Q12809 7/20 0.89

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
SCHEMBL13543126 1.00 CCR5 (0.89) CCR5KCNH2
SCHEMBL13544066 0.94 CCR5 (1.00) CCR5KCNH2
SCHEMBL3526031 0.94 CCR5 (1.00) CCR5KCNH2
SCHEMBL3523282 0.94 CCR5 (1.00) CCR5KCNH2
SCHEMBL13543714 0.93 CCR5 (0.88) CCR5KCNH2
SCHEMBL3524953 0.93 CCR5 (0.88) CCR5KCNH2
SCHEMBL13543589 0.93 CCR5 (0.88) CCR5KCNH2
SCHEMBL3529423 0.93 CCR5 (0.88) CCR5KCNH2
SCHEMBL13543332 0.92 CCR5 (0.84) CCR5KCNH2
SCHEMBL3527565 0.92 CCR5 (0.84) CCR5KCNH2

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-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 CCR5 1/4885KCNH2 4253/4885

“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.