SCHEMBL5322776

SCHEMBL5322776

COc1ccc(C2CCN(CC(CO)C3CCN(C=CC(=O)c4cc(F)cc(F)c4)CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.46
DRD2 P14416 1/20 0.41
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
SLC18A3 Q16572 1/20 0.38
OPRM1 P35372 1/20 0.38
HSD11B1 P28845 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
SCHEMBL5323601 0.91 CCR2 (0.48) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL5323641 0.87 CCR2 (0.47) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL5356626 0.87 DRD2 (0.43) DRD2USP2ALDH1A1MAPTALOX12
SCHEMBL5324768 0.83 CCR2 (0.49) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL5321973 0.82 CCR2 (0.46) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL5459675 0.81 CCR2 (0.56) CCR2ALDH1A1MAPT
SCHEMBL5324932 0.81 CCR2 (0.47) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL14387014 0.81 CCR2 (0.56) CCR2ALDH1A1MAPT
SCHEMBL5354245 0.80 USP2 (0.43) CCR2DRD2USP2ALDH1A1MAPT
SCHEMBL5327777 0.77 DRD2 (0.45) DRD2USP2ALDH1A1MAPTALOX12

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 2 patents. 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
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 1/4885DRD2 284/4885USP2 3962/4885

“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.