SCHEMBL5355885

SCHEMBL5355885

O=C(OCc1ccccc1)N1CCC(O)(C(O)CN2CCC(c3c[nH]c4ccccc34)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
CHRM4 P08173 1/20 0.49
HSD11B1 P28845 1/20 0.47
KDM4E B2RXH2 1/20 0.46
BRD4 O60885 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CREBBP Q92793 1/20 0.46
HTR2A P28223 3/20 0.45
HTR7 P34969 3/20 0.45
DRD2 P14416 1/20 0.45
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL14387123 0.89 KMT2A (0.49) KMT2ACHRM4HSD11B1KDM4EBRD4
SCHEMBL5353346 0.88 KMT2A (0.58) KMT2ACHRM4HSD11B1KDM4EBRD4
SCHEMBL5358767 0.85 KMT2A (0.57) KMT2ACHRM4HSD11B1KDM4EBRD4
SCHEMBL5358772 0.84 KMT2A (0.58) KMT2ACHRM4HSD11B1KDM4EBRD4
SCHEMBL5357030 0.80 KMT2A (0.62) KMT2AHTR2AHTR7DRD2ADRA1D
SCHEMBL5327691 0.80 CCR1 (0.50) KMT2ACHRM4HSD11B1NPC1RAB9A
SCHEMBL5326755 0.80 CHRM4 (0.45) KMT2ACHRM4NPC1RAB9ASMN1; SMN2
SCHEMBL14386915 0.78 CCR2 (0.64) KMT2ACHRM4
SCHEMBL5322030 0.78 CHRM2 (0.48) CHRM4NPC1RAB9ASMN1; SMN2
SCHEMBL5328392 0.77 OPRM1 (0.46) KMT2ACHRM4KDM4EBRD4ALDH1A1

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 6 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
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

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 KMT2A 2990/4885CHRM4 3792/4885HSD11B1 1395/4885

“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.