SCHEMBL5327780

SCHEMBL5327780

COc1ccc(C2CCN(CC(O)C3CCN(C(=O)C=Cc4cccc(C)c4)CC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.57
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
GPR183 P32249 1/20 0.50
PTGS2 P35354 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.43

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
SCHEMBL14387061 1.00 CCR2 (0.57) CCR2ALDH1A1MAPTGPR183PTGS2
SCHEMBL14386851 0.91 CCR2 (0.55) CCR2ALDH1A1MAPTGPR183PTGS2
SCHEMBL5356628 0.91 CCR2 (0.55) CCR2ALDH1A1MAPTGPR183PTGS2
SCHEMBL5322787 0.88 CCR2 (0.62) CCR2ALDH1A1MAPTGPR183PTGS2
SCHEMBL14387057 0.88 CCR2 (0.62) CCR2ALDH1A1MAPTGPR183PTGS2
SCHEMBL5361139 0.87 CCR2 (0.52) CCR2ALDH1A1MAPTGPR183PTGS2
SCHEMBL14386901 0.87 CCR2 (0.52) CCR2ALDH1A1MAPTGPR183PTGS2
SCHEMBL5330013 0.86 CCR2 (0.77) CCR2ALDH1A1MAPTPTGS2NPC1
SCHEMBL5354249 0.86 CCR2 (0.60) CCR2ALDH1A1MAPTPTGS2NPC1
SCHEMBL14387052 0.86 CCR2 (0.60) CCR2ALDH1A1MAPTPTGS2NPC1

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
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO 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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 CCR2 1/4885ALDH1A1 905/4885MAPT 4100/4885

“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.