SCHEMBL5359770

SCHEMBL5359770

O=C(C=CN1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.47
HTR1D P28221 13/20 0.45
HTR1B P28222 10/20 0.45
CHRM2 P08172 1/20 0.43
DRD2 P14416 1/20 0.43
HSD11B1 P28845 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
HTR1A P08908 1/20 0.41
HTR1F P30939 1/20 0.41

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
SCHEMBL5350156 0.91 HTR1D (0.46) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL5352711 0.91 CCR2 (0.53) CCR2
SCHEMBL5357679 0.90 HTR1D (0.46) HTR1DHTR1BCHRM2DRD2HSD11B1
SCHEMBL5354354 0.89 HTR1D (0.45) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL5349966 0.89 CCR2 (0.47) CCR2HTR1DHTR1BCHRM2DRD2
SCHEMBL5369254 0.88 CCR2 (0.40) CCR2HTR1DHTR1BDRD2HTR1A
SCHEMBL5361911 0.85 KMT2A (0.49) CCR2HTR1DHTR1BDRD2HSD11B1
SCHEMBL5325741 0.85 DRD2 (0.40) CCR2DRD2HSD11B1
SCHEMBL5345720 0.84 KMT2A (0.49) CCR2HTR1DHTR1BDRD2
SCHEMBL5349167 0.83 KMT2A (0.50) CCR2HTR1DHTR1BDRD2HSD11B1

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
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.