SCHEMBL4013914

SCHEMBL4013914

Cc1nc2c(n1C1CC3CCC(C1)N3CC[C@H](NC(=O)O)c1cccc(F)c1)CNCC2

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 11/20 0.76
▸ KCNH2 Q12809 9/20 0.65

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
SCHEMBL4013910 1.00 CCR5 (0.76) CCR5KCNH2
SCHEMBL3073738 0.94 CCR5 (0.69) CCR5KCNH2
SCHEMBL3073740 0.94 CCR5 (0.69) CCR5KCNH2
SCHEMBL4016086 0.91 CCR5 (0.90) CCR5KCNH2
SCHEMBL4016090 0.91 CCR5 (0.90) CCR5KCNH2
SCHEMBL13718941 0.91 CCR5 (0.67) CCR5KCNH2
SCHEMBL3058167 0.89 CCR5 (0.75) CCR5KCNH2
SCHEMBL3058163 0.89 CCR5 (0.75) CCR5KCNH2
Ammonia Solution, Strong SCHEMBL3076184 0.88 CCR5 (0.74) CCR5KCNH2
Ammonia Solution, Strong SCHEMBL3076186 0.88 CCR5 (0.74) 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 7 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
US-20040014742-A1 Antiinflammatory agents; viricides PFIZER INC. 2004-01-22 — — 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 (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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