SCHEMBL4199259

SCHEMBL4199259

Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(=O)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.59
CHRM2 P08172 6/20 0.55
CHRM1 P11229 3/20 0.52
CHRM3 P20309 2/20 0.52

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
SCHEMBL411762 0.86 CCR5 (0.46) CCR5CHRM2CHRM1CHRM3
SCHEMBL4194662 0.85 CCR5 (0.63) CCR5CHRM2
SCHEMBL3841444 0.80 CCR5 (0.61) CCR5CHRM2
SCHEMBL13442964 0.77 CCR5 (0.56) CCR5CHRM2CHRM1CHRM3
SCHEMBL14529100 0.77 CCR5 (0.56) CCR5CHRM2CHRM1CHRM3
SCHEMBL12202560 0.75 CCR5 (1.00) CCR5
SCHEMBL3409476 0.74 CCR5 (0.38) CCR5
SCHEMBL12531292 0.73 CCR5 (0.86) CCR5CHRM2CHRM1CHRM3
SCHEMBL4552252 0.71 CCR5 (0.71) CCR5
SCHEMBL410793 0.71 CCR5 (0.83) CCR5CHRM2CHRM1CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 US disclosed
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 US disclosed
US-20090124635-A1 CHEMICAL COMPOUNDS PFIZER INC. (GB) 2009-05-14 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 (1 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-20090124635-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CCR2 CCR5 1/4885CHRM2 134/4885CHRM1 115/4885

“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.