SCHEMBL5322708

SCHEMBL5322708

CC(C)(C)OC(=O)N1CCC(C(O)CN2CCC(c3c[nH]c4ccc(NS(C)(=O)=O)cc34)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.52
HTR1D P28221 12/20 0.45
HTR1B P28222 10/20 0.45
HTR6 P50406 3/20 0.43
HTR1A P08908 1/20 0.43
HTR1F P30939 1/20 0.43
CHRM2 P08172 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL14441462 0.90 HTR1D (0.47) HTR1DHTR1BHTR1AHTR1FCHRM2
SCHEMBL5466905 0.90 CCR2 (0.55) CCR2HTR1DHTR1BHTR6HTR1A
SCHEMBL5357201 0.82 CCR2 (0.68) CCR2
SCHEMBL5357205 0.82 CCR2 (0.68) CCR2
SCHEMBL5324408 0.82 CCR2 (0.78) CCR2
SCHEMBL5361697 0.82 CCR2 (0.78) CCR2
SCHEMBL5360498 0.81 CCR2 (0.62) CCR2
SCHEMBL5360490 0.81 CCR2 (0.62) CCR2
SCHEMBL7480338 0.78 HTR6 (0.55) CCR2HTR1DHTR1BHTR6HTR1A
SCHEMBL5456752 0.78 HTR1D (0.62) CCR2HTR1DHTR1BHTR1AHTR1F

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 5 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
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 CCR2 1/4885HTR1D 804/4885HTR1B 680/4885

“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.