SCHEMBL5323533

SCHEMBL5323533

CCOC(=O)C(CN1CCC(c2ccc(OC)cc2)CC1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.49
▸ OPRM1 P35372 1/20 0.44
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ SLC18A3 Q16572 1/20 0.40
▸ CCR2 P41597 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ APP P05067 1/20 0.39

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
SCHEMBL5463382 0.83 ALDH1A1 (0.48) DRD2ALDH1A1KDM4EHPGD
SCHEMBL5462617 0.82 DRD2 (0.54) DRD2SLC6A2SLC18A3
SCHEMBL5449838 0.81 CHRM4 (0.48) OPRM1ALDH1A1LMNARAB9A
SCHEMBL5328599 0.79 DRD2 (0.51) DRD2SLC6A2SLC18A3CCR2
SCHEMBL5322704 0.79 CCR2 (0.55) CCR2GAAALDH1A1RAB9A
SCHEMBL5362732 0.79 CCR2 (0.55) CCR2GAAALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL5455282 0.76 DRD2 (0.43) DRD2OPRM1SLC18A3CCR2ALDH1A1
SCHEMBL5327786 0.73 DRD2 (0.54) DRD2OPRM1SLC18A3CCR2SIGMAR1
SCHEMBL5327743 0.72 DRD2 (0.53) DRD2OPRM1SLC18A3CCR2ALDH1A1
SCHEMBL7960719 0.71 DRD2 (0.62) DRD2OPRM1CCR2SIGMAR1KMT2A

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 disclosed
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
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 DRD2 284/4885OPRM1 513/4885SLC6A2 3317/4885

“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.

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