SCHEMBL3063715

SCHEMBL3063715

COC(=O)N1CCc2c(nc(C)n2[C@H]2C[C@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)OC(C)(C)C)c2cccc(F)c2)C1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.83
▸ CCR5 P51681 12/20 0.80

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
SCHEMBL3063717 1.00 KCNH2 (0.83) KCNH2CCR5
SCHEMBL4019174 0.95 CCR5 (0.90) KCNH2CCR5
SCHEMBL4019171 0.95 CCR5 (0.90) KCNH2CCR5
SCHEMBL13179035 0.94 KCNH2 (0.75) KCNH2CCR5
SCHEMBL13719039 0.94 CCR5 (0.90) KCNH2CCR5
SCHEMBL13719436 0.92 KCNH2 (0.86) KCNH2CCR5
SCHEMBL4015526 0.92 CCR5 (0.73) KCNH2CCR5
SCHEMBL4015523 0.92 CCR5 (0.73) KCNH2CCR5
SCHEMBL1198749 0.91 KCNH2 (1.00) KCNH2CCR5
SCHEMBL1080663 0.91 KCNH2 (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790740-B2 Imidazopyridine substituted tropane derivatives with CCR5 receptor antagonist activity for the treatment of HIV and inflammation PFIZER INC (US) 2010-09-07 — — US disclosed
US-7579471-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2009-08-25 — — US disclosed
US-20080045563-A1 IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION PFIZER INC. 2008-02-21 — — US disclosed
US-7309790-B2 Chemical compounds PFIZER INC (US) 2007-12-18 — — US disclosed
EP-1682545-B1 IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION PFIZER LTD (GB) 2007-12-12 — — EP 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-20050131011-A1 Chemical compounds PFIZER, INC. 2005-06-16 — — US 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 (5 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 KCNH2 2928/4885CCR5 1/4885
US-20050107424-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 KCNH2 3530/4885CCR5 1/4885
US-20080045563-A1 IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION CCR5, CCR2, CX3CR1 KCNH2 2405/4885CCR5 1/4885
US-20070185157-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 KCNH2 3530/4885CCR5 1/4885
US-20050131011-A1 Chemical compounds CCR5, CCR2, CX3CR1 KCNH2 3565/4885CCR5 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.

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