SCHEMBL3528050

SCHEMBL3528050

Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)C(C)(NC(=O)C(Cl)Cl)C(C)C)CC1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.78
CCR5 P51681 6/20 0.68

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
SCHEMBL13544257 1.00 KCNH2 (0.78) KCNH2CCR5
SCHEMBL3529984 0.94 KCNH2 (0.80) KCNH2CCR5
SCHEMBL13544219 0.94 KCNH2 (0.80) KCNH2CCR5
SCHEMBL3527242 0.94 KCNH2 (0.82) KCNH2CCR5
SCHEMBL3531919 0.92 KCNH2 (0.78) KCNH2CCR5
SCHEMBL13544254 0.92 KCNH2 (0.78) KCNH2CCR5
SCHEMBL13544271 0.92 KCNH2 (0.82) KCNH2CCR5
SCHEMBL3524139 0.92 KCNH2 (0.82) KCNH2CCR5
SCHEMBL3526864 0.92 KCNH2 (0.79) KCNH2CCR5
SCHEMBL13544253 0.92 KCNH2 (0.79) KCNH2CCR5

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 2 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

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 KCNH2 4253/4885CCR5 1/4885

“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.