SCHEMBL5328599

SCHEMBL5328599

COc1ccc(C2CCN(CC(CO)C3CCNCC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.51
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC18A3 Q16572 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ MAP1LC3B Q9GZQ8 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ TDP1 Q9NUW8 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
Trifluoroacetic Acid SCHEMBL5455282 0.91 DRD2 (0.43) DRD2SLC18A3TAAR1CCR2
SCHEMBL5462617 0.87 DRD2 (0.54) DRD2PRMT5WDR77SLC6A2SLC18A3
SCHEMBL5326193 0.83 DRD2 (0.51) DRD2SLC18A3DRD3CCR2
SCHEMBL5323533 0.79 DRD2 (0.49) DRD2SLC6A2SLC18A3CCR2
SCHEMBL5458686 0.79 ALDH1A1 (0.50) DRD2
SCHEMBL14387014 0.75 CCR2 (0.56) CCR2
SCHEMBL5459675 0.75 CCR2 (0.56) CCR2
SCHEMBL5323643 0.74 CCR2 (0.73) CCR2
SCHEMBL14386913 0.74 CCR2 (0.73) CCR2
SCHEMBL14386851 0.74 CCR2 (0.55) CCR2

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 284/4885PRMT5 1953/4885WDR77 430/4885

“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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