SCHEMBL5463382

SCHEMBL5463382

CCOC(=O)C(CN1CCC(c2ccc(OC)cc2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ MMP1 P03956 3/20 0.46
▸ MMP3 P08254 3/20 0.46
▸ MMP7 P09237 3/20 0.46
▸ MMP9 P14780 3/20 0.46
▸ MMP8 P22894 3/20 0.46
▸ MMP13 P45452 3/20 0.46
▸ MMP2 P08253 2/20 0.46
▸ TP53 P04637 4/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ STS P08842 1/20 0.45
▸ GPR119 Q8TDV5 3/20 0.44
▸ NAMPT P43490 1/20 0.44
▸ CTSD P07339 1/20 0.44
▸ CTSE P14091 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ MAPT P10636 1/20 0.42

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
SCHEMBL5458686 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHTTMMP1
SCHEMBL5449838 0.84 CHRM4 (0.48) ALDH1A1HTTMMP1MMP3MMP7
SCHEMBL5323533 0.83 DRD2 (0.49) ALDH1A1KDM4EHPGDDRD2
SCHEMBL7871974 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHTTTP53
SCHEMBL5414884 0.80 GPR119 (0.48) ALDH1A1KDM4EHPGDHTTMMP1
SCHEMBL5947290 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHTTMMP1
SCHEMBL23411054 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHTTTP53
SCHEMBL29891542 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHTTTP53
SCHEMBL23060497 0.76 PDE4B (0.64) ALDH1A1HPGDHTTMMP1MMP3
SCHEMBL8040438 0.75 NAMPT (0.54) ALDH1A1KDM4EHPGDTP53GPR119

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 905/4885KDM4E 3992/4885HPGD 610/4885

“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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