SCHEMBL3064217

SCHEMBL3064217

CC(=O)N1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3cnccc31)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 2/20 0.42
RPS6KA5 O75582 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DYRK1A Q13627 1/20 0.40
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3064218 1.00 CCR5 (0.47) CCR5CYP2D6KCNH2RPS6KA5L3MBTL1
SCHEMBL4011542 0.90 CCR5 (0.42) CCR5CYP2D6KCNH2L3MBTL1DYRK1A
SCHEMBL4011538 0.90 CCR5 (0.42) CCR5CYP2D6KCNH2L3MBTL1DYRK1A
SCHEMBL13141123 0.83 CCR5 (0.57) CCR5CYP2D6KCNH2RPS6KA5CYP11B2
SCHEMBL6167230 0.81 CCR5 (0.42) CCR5CYP2D6KCNH2L3MBTL1CYP11B2
SCHEMBL6167224 0.81 CCR5 (0.42) CCR5CYP2D6KCNH2L3MBTL1CYP11B2
SCHEMBL4138903 0.77 CCR5 (0.58) CCR5CYP2D6RPS6KA5L3MBTL1DYRK1A
SCHEMBL4019859 0.75 CCR5 (0.54) CCR5CYP2D6KCNH2
SCHEMBL4126037 0.74 RPS6KA5 (0.60) CCR5CYP2D6RPS6KA5L3MBTL1CYP11B2
SCHEMBL4134368 0.73 CCR5 (0.54) CCR5CYP2D6L3MBTL1LMNA

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-1682545-A1 IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION Pfizer Limited (GB) 2006-07-26 EP 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
WO-2005033107-A1 IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION PFIZER LIMITED (GB) 2005-04-14 WO 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 (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 CCR5 1/4885CYP2D6 1795/4885KCNH2 2928/4885
US-20050107424-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CCR5 1/4885CYP2D6 1468/4885KCNH2 3530/4885
US-20080045563-A1 IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION CCR5, CCR2, CX3CR1 CCR5 1/4885CYP2D6 1242/4885KCNH2 2405/4885
US-20070185157-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CCR5 1/4885CYP2D6 1468/4885KCNH2 3530/4885
US-20050131011-A1 Chemical compounds CCR5, CCR2, CX3CR1 CCR5 1/4885CYP2D6 840/4885KCNH2 3565/4885

“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.