SCHEMBL4019171

SCHEMBL4019171

COC(=O)N1CCc2nc(C)n([C@H]3C[C@H]4CC[C@@H](C3)N4CC[C@H](NC(=O)OC(C)(C)C)c3cccc(F)c3)c2C1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 12/20 0.90
▸ KCNH2 Q12809 8/20 0.75

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
SCHEMBL4019174 1.00 CCR5 (0.90) CCR5KCNH2
SCHEMBL3063715 0.95 KCNH2 (0.83) CCR5KCNH2
SCHEMBL3063717 0.95 KCNH2 (0.83) CCR5KCNH2
SCHEMBL5632676 0.94 CCR5 (1.00) CCR5KCNH2
SCHEMBL4015700 0.94 CCR5 (1.00) CCR5KCNH2
SCHEMBL13719034 0.94 CCR5 (0.88) CCR5KCNH2
SCHEMBL4018785 0.92 CCR5 (0.82) CCR5KCNH2
SCHEMBL4018782 0.92 CCR5 (0.82) CCR5KCNH2
SCHEMBL1198671 0.91 CCR5 (1.00) CCR5KCNH2
SCHEMBL1198672 0.91 CCR5 (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579471-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2009-08-25 — — US disclosed
US-20070185157-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2007-08-09 — — US disclosed
US-7217721-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2007-05-15 — — US disclosed
EP-1492789-B1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2006-06-07 — — EP disclosed
US-20050107424-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2005-05-19 — — US disclosed
US-6855724-B2 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. (US) 2005-02-15 — — US disclosed
EP-1492789-A1 TROPANE DERIVATIVES AS CCR5 MODULATORS Pfizer Limited (GB) 2005-01-05 — — EP disclosed
US-20040014742-A1 Antiinflammatory agents; viricides PFIZER INC. 2004-01-22 — — US disclosed
WO-2003084954-A1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2003-10-16 — — 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 (3 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-20040014742-A1 Antiinflammatory agents; viricides CCR5, CXCR1, CCR1 CCR5 1/4885KCNH2 2928/4885
US-20050107424-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CCR5 1/4885KCNH2 3530/4885
US-20070185157-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CCR5 1/4885KCNH2 3530/4885

“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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