SCHEMBL5454840

SCHEMBL5454840

OCC(CC1CCN(CCCc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.60
SLC2A1 P11166 1/20 0.52
ADRA1D P25100 4/20 0.49

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
SCHEMBL5463070 0.87 ADRA1D (0.51) CCR2ADRA1D
SCHEMBL5450089 0.82 CCR2 (0.63) CCR2SLC2A1ADRA1D
SCHEMBL14386890 0.78 CCR2 (0.77) CCR2
SCHEMBL5358213 0.78 CCR2 (0.53) CCR2SLC2A1
SCHEMBL14387068 0.77 CCR2 (0.78) CCR2SLC2A1
SCHEMBL5358216 0.77 CCR2 (0.78) CCR2SLC2A1
SCHEMBL5331458 0.77 HTR2C (0.57) CCR2ADRA1D
SCHEMBL5328673 0.75 KDM4E (0.51) CCR2
SCHEMBL5327055 0.75 KDM4E (0.56) CCR2
SCHEMBL5328670 0.75 KDM4E (0.55) CCR2

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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed

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 1/4885SLC2A1 2264/4885ADRA1D 330/4885

“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.