SCHEMBL5348161

SCHEMBL5348161

OC(CN1CCC(c2c[nH]c3ccc(F)cc23)CC1)C1(O)CCN(C(=S)Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRL1 P41146 3/20 0.44
CCR2 P41597 4/20 0.43
HSD11B1 P28845 2/20 0.41
HTR1A P08908 5/20 0.40
SLC6A4 P31645 4/20 0.40
HTR7 P34969 3/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HTR6 P50406 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1D P28221 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
SCHEMBL14387033 0.87 HTR1D (0.46) OPRM1OPRK1OPRL1CCR2DRD2
SCHEMBL5359211 0.87 CCR2 (0.53) OPRM1OPRK1OPRL1CCR2HSD11B1
SCHEMBL5354238 0.83 HSD11B1 (0.46) OPRM1OPRK1OPRL1CCR2HSD11B1
SCHEMBL14387087 0.83 CCR2 (0.54) CCR2DRD2HTR1D
SCHEMBL14386503 0.81 CCR2 (0.67) CCR2HTR1AHTR7DRD2HTR2A
SCHEMBL5359774 0.81 CCR2 (0.67) CCR2HTR1AHTR7DRD2HTR2A
SCHEMBL5362149 0.81 HSD11B1 (0.54) OPRM1OPRK1OPRL1HSD11B1HTR1A
SCHEMBL14387029 0.81 HTR1D (0.46) OPRM1OPRK1OPRL1CCR2HSD11B1
SCHEMBL5350309 0.80 HSD11B1 (0.45) OPRM1OPRK1OPRL1CCR2HSD11B1
SCHEMBL5359770 0.79 CCR2 (0.47) OPRM1OPRK1OPRL1CCR2HSD11B1

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 OPRM1 513/4885OPRK1 167/4885OPRL1 68/4885

“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.