SCHEMBL13627024

SCHEMBL13627024

COc1ccc(C2=CCC(N[C@H]3CCN(C(=O)C4CCN(c5cc(C(F)(F)F)ccn5)CC4)C3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.52
KCNH2 Q12809 3/20 0.52
HCRTR1 O43613 2/20 0.40
HCRTR2 O43614 2/20 0.40
SYK P43405 2/20 0.40
ACACB O00763 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MAPT P10636 1/20 0.38
MAP3K12 Q12852 1/20 0.37

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
SCHEMBL13627435 0.90 CCR2 (0.50) CCR2KCNH2SYKACACBHRH3
SCHEMBL13627267 0.88 CCR2 (0.53) CCR2KCNH2SYKHRH3MAPT
SCHEMBL13627021 0.88 CCR2 (0.54) CCR2KCNH2SYKHRH3MAP3K12
SCHEMBL13627093 0.87 CCR2 (0.57) CCR2KCNH2SYKMAPTMAP3K12
SCHEMBL13627018 0.87 CCR2 (0.57) CCR2KCNH2SYKMAPTMAP3K12
SCHEMBL13627090 0.87 CCR2 (0.68) CCR2KCNH2HCRTR1HCRTR2SYK
SCHEMBL13627266 0.86 CCR2 (0.57) CCR2KCNH2SYK
SCHEMBL13627015 0.85 CCR2 (0.55) CCR2KCNH2SYKHRH3MAP3K12
SCHEMBL13627175 0.82 CCR2 (0.61) CCR2KCNH2HCRTR1HCRTR2SYK
SCHEMBL4322305 0.81 CCR2 (0.77) CCR2KCNH2

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 2769/4885HCRTR1 251/4885

“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.