SCHEMBL5322784

SCHEMBL5322784

COc1ccc(C2CCN(CC(O)C3CCN(C=CC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.45
KCNH2 Q12809 1/20 0.45
MAOB P27338 2/20 0.42
DRD2 P14416 2/20 0.40
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
GRIN2C Q14957 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL5327777 0.88 DRD2 (0.45) DRD2USP2ALDH1A1MAPTALOX12
SCHEMBL5354245 0.85 USP2 (0.43) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL5323601 0.85 CCR2 (0.48) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL5324768 0.84 CCR2 (0.49) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL5330010 0.83 CCR2 (0.49) CCR2KCNH2DRD2USP2ALDH1A1
SCHEMBL5322787 0.81 CCR2 (0.62) CCR2MAOBALDH1A1MAPT
SCHEMBL14387057 0.81 CCR2 (0.62) CCR2MAOBALDH1A1MAPT
SCHEMBL5356626 0.80 DRD2 (0.43) DRD2KMT2AUSP2ALDH1A1MAPT
SCHEMBL14430080 0.79 MEN1 (0.54) UBE2MDCUN1D1KMT2AALDH1A1MAPT
SCHEMBL5356128 0.77 CTSS (0.45) 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 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 1/4885KCNH2 2884/4885MAOB 3812/4885

“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.