SCHEMBL4019859

SCHEMBL4019859

Cc1nc2cnccc2n1C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.54
CYP2D6 P10635 1/20 0.54
KCNH2 Q12809 3/20 0.45
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTAFR P25105 1/20 0.41

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
SCHEMBL1573804 0.87 CCR5 (0.56) CCR5CYP2D6KCNH2ALDH1A1
SCHEMBL13141123 0.80 CCR5 (0.57) CCR5CYP2D6KCNH2KDM4EALDH1A1
SCHEMBL3064218 0.75 CCR5 (0.47) CCR5CYP2D6KCNH2
SCHEMBL3064217 0.75 CCR5 (0.47) CCR5CYP2D6KCNH2
SCHEMBL13687189 0.74 CCR5 (0.57) CCR5KCNH2
SCHEMBL13687202 0.73 CCR5 (0.56) CCR5KCNH2
SCHEMBL12385277 0.72 JAK1 (0.74)
SCHEMBL4126037 0.71 RPS6KA5 (0.60) CCR5CYP2D6KDM4EALDH1A1
SCHEMBL13915685 0.69 CCR5 (0.56) CCR5KCNH2
SCHEMBL175093 0.69 CCR5 (0.56) 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 13 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-7579471-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2009-08-25 US disclosed
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-20070185157-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2007-08-09 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
US-7217721-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2007-05-15 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 1/4885CYP2D6 1795/4885KCNH2 2928/4885
US-20050107424-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CCR5 1/4885CYP2D6 1468/4885KCNH2 3530/4885
US-20070185157-A1 Tropane derivatives useful in therapy CCR5, CXCR4, CX3CR1 CCR5 1/4885CYP2D6 1468/4885KCNH2 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.