SCHEMBL13627436

SCHEMBL13627436

O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](NC2CC=C(c3ccc(-c4ncccn4)cn3)CC2)C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.69
KCNH2 Q12809 7/20 0.54
CHRM4 P08173 4/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
SYK P43405 1/20 0.37
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34

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
SCHEMBL13627090 0.89 CCR2 (0.68) CCR2KCNH2CHRM4SYK
SCHEMBL13627434 0.89 CCR2 (0.68) CCR2KCNH2PIK3CDPIK3R1SYK
SCHEMBL13627437 0.86 CCR2 (0.68) CCR2KCNH2CHRM4PIK3CDPIK3R1
SCHEMBL13627020 0.86 CCR2 (0.66) CCR2KCNH2
SCHEMBL13627071 0.85 CCR2 (0.68) CCR2KCNH2
SCHEMBL13627269 0.84 CCR2 (0.66) CCR2KCNH2CHRM4
SCHEMBL13627175 0.84 CCR2 (0.61) CCR2KCNH2SYK
SCHEMBL13627268 0.84 CCR2 (0.53) CCR2KCNH2SYK
SCHEMBL13627012 0.83 CCR2 (0.66) CCR2KCNH2
SCHEMBL13627438 0.82 CCR2 (0.60) CCR2KCNH2SYKITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS XUE CHU-BIAO 2009-11-19 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-20090286792-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CCR2 1/4885KCNH2 2769/4885CHRM4 295/4885

“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.