SCHEMBL5324919

SCHEMBL5324919

COc1ccc(C2CCN(CC(O)C3(O)CCN(C=CC(=O)c4ccsc4)CC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 1/20 0.37
CCR2 P41597 5/20 0.35
SLC18A3 Q16572 2/20 0.35
OPRM1 P35372 1/20 0.35
HSD11B1 P28845 1/20 0.35
CHRM4 P08173 1/20 0.34

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
SCHEMBL5325494 0.87 MAPT (0.45) USP2ALDH1A1MAPTALOX12SIGMAR1
SCHEMBL5321973 0.86 CCR2 (0.46) USP2ALDH1A1MAPTALOX12SIGMAR1
SCHEMBL5324486 0.85 CCR2 (0.46) USP2ALDH1A1MAPTALOX12SIGMAR1
SCHEMBL5326187 0.85 USP2 (0.41) USP2ALDH1A1MAPTALOX12SIGMAR1
SCHEMBL5328087 0.85 CCR2 (0.46) USP2ALDH1A1MAPTALOX12SIGMAR1
SCHEMBL5361133 0.85 DRD2 (0.42) USP2ALDH1A1MAPTALOX12SIGMAR1
SCHEMBL14386846 0.80 CCR2 (0.49) ALDH1A1MAPTCCR2
SCHEMBL5324924 0.80 CCR2 (0.49) ALDH1A1MAPTCCR2
SCHEMBL5351547 0.78 KMT2A (0.47) ALDH1A1DRD2CCR2HSD11B1
SCHEMBL5328485 0.77 DRD2 (0.38) DRD2CCR2SLC18A3OPRM1CHRM4

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 4 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
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US 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 USP2 3962/4885ALDH1A1 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.