SCHEMBL13627268

SCHEMBL13627268

O=C(C1CCN(c2ccc(C(F)(F)F)cn2)C1)N1CC[C@H](NC2CC=C(c3ccc(-c4ncccn4)cn3)CC2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.53
KCNH2 Q12809 5/20 0.53
TRPV1 Q8NER1 5/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.41
SYK P43405 2/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 4/20 0.39
CA7 P43166 4/20 0.39
CA9 Q16790 4/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL13627012 0.88 CCR2 (0.66) CCR2KCNH2
SCHEMBL13627020 0.88 CCR2 (0.66) CCR2KCNH2
SCHEMBL13627090 0.87 CCR2 (0.68) CCR2KCNH2SYK
SCHEMBL13627438 0.87 CCR2 (0.60) CCR2KCNH2KDM4ELMNASYK
SCHEMBL13627174 0.87 CCR2 (0.60) CCR2KCNH2KDM4ELMNASYK
SCHEMBL13627175 0.86 CCR2 (0.61) CCR2KCNH2SYK
SCHEMBL13627071 0.86 CCR2 (0.68) CCR2KCNH2TRPV1LMNA
SCHEMBL13627269 0.85 CCR2 (0.66) CCR2KCNH2
SCHEMBL13627070 0.85 CCR2 (0.61) CCR2KCNH2
SCHEMBL13627434 0.84 CCR2 (0.68) CCR2KCNH2SYK

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 2769/4885TRPV1 832/4885

“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.