SCHEMBL5455561

SCHEMBL5455561

COc1ccc(C=CC(=O)N2CCC(O)(C(O)CN3CCC(c4ccc(C(F)(F)F)cc4)CC3)CC2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.56
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GPR183 P32249 1/20 0.42
BCHE P06276 2/20 0.41
APP P05067 1/20 0.41
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL14387112 1.00 CCR2 (0.56) CCR2TDP1KDM4EALDH1A1KMT2A
SCHEMBL5325885 0.87 CCR2 (0.56) CCR2GPR183
SCHEMBL14387117 0.87 CCR2 (0.56) CCR2GPR183
SCHEMBL5351851 0.87 CCR2 (0.56) CCR2TDP1GPR183
SCHEMBL14387113 0.87 CCR2 (0.56) CCR2TDP1GPR183
SCHEMBL5321988 0.86 CCR2 (0.47) CCR2GPR183
SCHEMBL14386903 0.86 CCR2 (0.47) CCR2GPR183
SCHEMBL14430095 0.85 CCR2 (0.47) CCR2
SCHEMBL5333449 0.85 CCR2 (0.47) CCR2
SCHEMBL5326189 0.82 CCR2 (0.55) CCR2ALDH1A1

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 1/4885TDP1 3488/4885KDM4E 3992/4885

“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.